Home Sulfos 4-Methylbenzenesulfonamide

4-Methylbenzenesulfonamide

CAS No.:
70-55-3
Catalog Number:
AG0035JC
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98%(HPLC)
In Stock USA
United States
$39
- +
100g
>98%(HPLC)
In Stock USA
United States
$57
- +
500g
>98%(HPLC)
In Stock USA
United States
$94
- +
Product Description
Catalog Number:
AG0035JC
Chemical Name:
4-Methylbenzenesulfonamide
CAS Number:
70-55-3
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD01837119
IUPAC Name:
4-methylbenzenesulfonamide
InChI:
InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:
LMYRWZFENFIFIT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N
EC Number:
200-741-1
UNII:
I8266RI90M
NSC Number:
9908
RTECS Number:
XT5075000
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Pyrrolo[2,3-b]quinoxalines as inhibitors of firefly luciferase: their Cu-mediated synthesis and evaluation as false positives in a reporter gene assay. Bioorganic & medicinal chemistry letters 20121015
C-H bond functionalization via hydride transfer: formation of α-arylated piperidines and 1,2,3,4-tetrahydroisoquinolines via stereoselective intramolecular amination of benzylic C-H bonds. The Journal of organic chemistry 20120817
Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target. Journal of medicinal chemistry 20120412
Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control. Organic & biomolecular chemistry 20120328
A single Cu(II) catalyst for the three-component coupling of diverse nitrogen sources with aldehydes and alkynes. Organic letters 20120217
Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana. Bioorganic & medicinal chemistry 20120215
A mild and efficient direct α-amination of β-dicarbonyl compounds using iodosobenzene and p-toluenesulfonamide catalyzed by perchlorate zinc hexahydrate. Organic letters 20120203
Formalehyde in personal care products. Skin pharmacology and physiology 20120101
Mn2+ complexes with 12-membered pyridine based macrocycles bearing carboxylate or phosphonate pendant arm: crystallographic, thermodynamic, kinetic, redox, and 1H/17O relaxation studies. Inorganic chemistry 20111219
Lewis acid catalyzed direct cyanation of indoles and pyrroles with N-cyano-N-phenyl-p-toluenesulfonamide (NCTS). Organic letters 20111021
N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide). Acta crystallographica. Section E, Structure reports online 20110901
N-(2,4-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20110901
Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates. Bioorganic & medicinal chemistry 20110815
N,N'-Bis(4-methyl-phenyl-sulfon-yl)-suberamide. Acta crystallographica. Section E, Structure reports online 20110801
Switching of enantioselectivity in the catalytic addition of diethylzinc to aldehydes by regioisomeric chiral 1,3-amino sulfonamide ligands. The Journal of organic chemistry 20110701
Allylic C-H bond activation and functionalization mediated by tris(oxazolinyl)borato rhodium(I) and iridium(I) compounds. Dalton transactions (Cambridge, England : 2003) 20110628
21-(4-Methyl-phenyl-sulfon-yl)-4,7,13,16-tetra-oxa-1,10,21-triaza-bicyclo-[8.8.5]tricosane-19,23-dione: an N-tosyl-ated macrobicyclic dilactam. Acta crystallographica. Section E, Structure reports online 20110601
Synthesis of mono- and 1,3-diaminocalix[4]arenes via Ullmann-type amination and amidation of 1,3-bistriflate esters of calix[4]arenes. The Journal of organic chemistry 20110401
A new β-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth. Bioorganic & medicinal chemistry 20110201
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata. Bioorganic & medicinal chemistry letters 20110115
Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II). Bioorganic & medicinal chemistry letters 20110101
4-Chloro-N-(2,3-dichloro-phen-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20110101
N-(4-Chloro-pyridin-2-yl)-N-meth-oxy-methyl-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20101201
Copper-catalyzed cascade syntheses of 2H-benzo[b][1,4]thiazin-3(4H)-ones and quinoxalin-2(1H)-ones through capturing S and N atom respectively from AcSH and TsNH(2). The Journal of organic chemistry 20100820
N-(2,6-Dimethyl-phen-yl)-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20100501
Cloning, characterization, and inhibition studies of a beta-carbonic anhydrase from Brucella suis. Journal of medicinal chemistry 20100311
Intramolecular anodic olefin coupling reactions and the synthesis of cyclic amines. Journal of the American Chemical Society 20100303
N-(4-Chloro-benzo-yl)-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20100201
Modelling the removal of p-TSA (para-toluenesulfonamide) during rapid sand filtration used for drinking water treatment. Water research 20100101
Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c. Bioorganic & medicinal chemistry letters 20091201
Preparation, X-ray structure, and oxidative reactivity of N-(2-iodylphenyl)tosylamides and 2-iodylphenyl tosylate: iodylarenes stabilized by ortho-substitution with a sulfonyl group. The Journal of organic chemistry 20091106
2-[(N-Benzyl-4-methyl-benzene-sul-fon-amido)meth-yl]pyridinium nitrate. Acta crystallographica. Section E, Structure reports online 20091101
Gemcitabine plus cisplatin chemotherapy with concurrent para-toluenesulfonamide local injection therapy for peripherally advanced nonsmall cell lung cancer larger than 3 cm in the greatest dimension. Anti-cancer drugs 20091001
Silicon powder: the first nonmetal elemental catalyst for aminobromination of olefins with TsNH(2) and NBS. Organic letters 20090917
2-Chloro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20090901
o-Toluene-sulfonamide: a redetermination. Acta crystallographica. Section E, Structure reports online 20090901
Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorganic & medicinal chemistry 20090715
Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorganic & medicinal chemistry 20090701
Difluoro-lambda3-bromane-induced Hofmann rearrangement of sulfonamides: synthesis of sulfamoyl fluorides. Journal of the American Chemical Society 20090624
Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. Journal of medicinal chemistry 20090514
Investigation of the fate of sulfonamides downgradient of a decommissioned sewage farm near Berlin, Germany. Journal of contaminant hydrology 20090512
[Therapeutic effect of para-toluenesulfonamide on transplanted hepatocarcinoma in nude mice]. Nan fang yi ke da xue xue bao = Journal of Southern Medical University 20090501
Molecular cloning, characterization, and inhibition studies of the Rv1284 beta-carbonic anhydrase from Mycobacterium tuberculosis with sulfonamides and a sulfamate. Journal of medicinal chemistry 20090423
Hydrogen- and oxygen-driven interconversion between imido-bridged dirhodium(III) and amido-bridged dirhodium(II) complexes. Journal of the American Chemical Society 20090408
Analysis of the eukaryotic prenylome by isoprenoid affinity tagging. Nature chemical biology 20090401
Addition reactions of chloro- or iodomethyllithium to imines. Synthesis of enantiopure aziridines and beta-chloroamines. The Journal of organic chemistry 20090320
Green and efficient synthesis of sulfonamides catalyzed by nano-Ru/Fe(3)O(4). Journal of the American Chemical Society 20090211
Copper powder-catalyzed regio- and stereoselective aminobromination of alpha,beta-unsaturated ketones with TsNH2 and NBS as nitrogen and halogen sources. The Journal of organic chemistry 20090206
Carbonic anhydrase inhibitors: inhibition of the beta-class enzyme from the yeast Saccharomyces cerevisiae with sulfonamides and sulfamates. Bioorganic & medicinal chemistry 20090201
Intramolecular anodic olefin coupling reactions: the use of a nitrogen trapping group. Journal of the American Chemical Society 20081015
Sensitivity of nuclear-quadrupole double-resonance detection of half-integer spin nuclei. Journal of magnetic resonance (San Diego, Calif. : 1997) 20081001
RCAI-17, 22, 24-26, 29, 31, 34-36, 38-40, and 88, the analogs of KRN7000 with a sulfonamide linkage: their synthesis and bioactivity for mouse natural killer T cells to produce Th2-biased cytokines. Bioorganic & medicinal chemistry 20081001
Use of chemometric methodology in optimizing conditions for competitive binding partial filling affinity capillary electrophoresis. Electrophoresis 20080801
2,2-Dichloro-N-(4-methyl-phenyl-sulfonyl)acetamide. Acta crystallographica. Section E, Structure reports online 20080801
Molecular structure and conformations of para-methylbenzene sulfonamide and ortho-methylbenzene sulfonamide: gas electron diffraction and quantum chemical calculations study. The journal of physical chemistry. A 20080403
Behaviour and biodegradation of sulfonamides (p-TSA, o-TSA, BSA) during drinking water treatment. Chemosphere 20080401
Three-component coupling reaction and cyclization of N-tosylimines and TMS-substituted propiolate mediated by DABCO. The Journal of organic chemistry 20080307
Identification and significance of sulphonamides (p-TSA, o-TSA, BSA) in an urban water cycle (Berlin, Germany). Water research 20080301
[Dose-effect relationship of para-toluenesulfonamide for treatment of hepatocellular carcinoma in rats]. Nan fang yi ke da xue xue bao = Journal of Southern Medical University 20080201
An efficient solvent-free synthesis of benzoxanthenes catalyzed by BSA or O-TSA. Preparative biochemistry & biotechnology 20080101
Frequency and main sites of allergic contact dermatitis caused by nail varnish. Dermatitis : contact, atopic, occupational, drug 20080101
Tandem epoxide or aziridine ring opening by azide/copper catalyzed [3+2] cycloaddition: efficient synthesis of 1,2,3-triazolo beta-hydroxy or beta-tosylamino functionality motif. The Journal of organic chemistry 20071207
Dentin decontamination using chloramine T prior to experiments involving bacteria. Dental materials : official publication of the Academy of Dental Materials 20071201
Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorganic & medicinal chemistry 20071201
Quantitative determination of three sulfonamides in environmental water samples using liquid chromatography coupled to electrospray tandem mass spectrometry. Journal of chromatography. A 20070720
Carbonic anhydrase inhibitors: the beta-carbonic anhydrase from Helicobacter pylori is a new target for sulfonamide and sulfamate inhibitors. Bioorganic & medicinal chemistry letters 20070701
Reaction of p-toluenesulfonylamide and M(NMe2)4 (M = Ti, V): generation of electron-deficient imido complexes of early transition metals. Inorganic chemistry 20070416
Human pharmaceuticals, antioxidants, and plasticizers in wastewater treatment plant and water reclamation plant effluents. Water environment research : a research publication of the Water Environment Federation 20070201
Carbonic anhydrase inhibitors. DNA cloning, characterization, and inhibition studies of the human secretory isoform VI, a new target for sulfonamide and sulfamate inhibitors. Journal of medicinal chemistry 20070125
Mitochondrial permeability transition induced by novel pyridothiopyranopyrimidine derivatives: potential new antimitochondrial antitumour agents. Biochemical pharmacology 20061215
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
An evaluation of para toluene-sulfonamide metabolism and effect with regard to CYP isoforms, P-glycoprotein, and drug interactions. Die Pharmazie 20061001
Hydroamination and hydroalkoxylation catalyzed by triflic acid. Parallels to reactions initiated with metal triflates. Organic letters 20060914
Photochromism, anomalous multi-banded fluorescence and laser properties of some amino- and tosyl-amino derivatives of oxadiazole. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060901
Lewis base catalyzed Mannich-type reactions between trimethylsilyl enol ethers and aldimines. Chemistry (Weinheim an der Bergstrasse, Germany) 20060623
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Metabolism and effect of para-toluene-sulfonamide on rat liver microsomal cytochrome P450 from in vivo and in vitro studies. Acta pharmacologica Sinica 20060501
Carbonic anhydrase inhibitors: cloning and sulfonamide inhibition studies of a carboxyterminal truncated alpha-carbonic anhydrase from Helicobacter pylori. Bioorganic & medicinal chemistry letters 20060415
Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs. Journal of medicinal chemistry 20060323
Carbonic anhydrase inhibitors. The mitochondrial isozyme VB as a new target for sulfonamide and sulfamate inhibitors. Journal of medicinal chemistry 20051201
Employment of palladium pincer-complexes in phenylselenylation of organohalides. The Journal of organic chemistry 20051111
Platinum-based catalysts for the hydroamination of olefins with sulfonamides and weakly basic anilines. Journal of the American Chemical Society 20050914
Efficient aziridination of olefins catalyzed by mixed-valent dirhodium(II,III) caprolactamate. Organic letters 20050623
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II. Bioorganic & medicinal chemistry letters 20050215
Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters. Bioorganic & medicinal chemistry letters 20050215
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs? Bioorganic & medicinal chemistry letters 20050215
Carbonic anhydrase inhibitors. Inhibition of the human cytosolic isozyme VII with aromatic and heterocyclic sulfonamides. Bioorganic & medicinal chemistry letters 20050215
Effects of a myosin-II inhibitor (N-benzyl-p-toluene sulphonamide, BTS) on contractile characteristics of intact fast-twitch mammalian muscle fibres. Journal of muscle research and cell motility 20050101
Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach. Bioorganic & medicinal chemistry letters 20041115
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorganic & medicinal chemistry letters 20041115
A highly efficient, preorganized macrobicyclic receptor for halides based on CH... and NH...anion interactions. Journal of the American Chemical Society 20041006
Development and validation of a gas chromatography/mass spectrometry procedure for confirmation of para-toluenesulfonamide in edible fish fillet tissue. Journal of AOAC International 20040101
Synthetic methodology utilized to prepare substituted imidazole p38 MAP kinase inhibitors. Current opinion in drug discovery & development 20031101
Dioxygen-coupled oxidative amination of styrene. Journal of the American Chemical Society 20031029
Imino ene reaction catalyzed by ytterbium(III) triflate and TMSCl or TMSOTf. The Journal of organic chemistry 20030418
Transition metal-catalyzed regio- and stereoselective aminobromination of olefins with TsNH2 and NBS as nitrogen and bromine sources. Organic letters 20030320
1,2-Silyl-migrative cyclization of vinylsilanes bearing an amino group. Chirality 20030101
Dichloro[N-[3-(eta5-cyclopentadienyl)propyl]-4-toluenesulfonamido-kappa2N,O]titanium(IV). Acta crystallographica. Section C, Crystal structure communications 20021101
Alkynyliodonium salts in organic synthesis. Application to the total synthesis of the tropoloisoquinoline alkaloid pareitropone. Journal of the American Chemical Society 20021002
Design and synthesis of a series of indole glycoprotein IIb/IIIa inhibitors. European journal of medicinal chemistry 20020101
Biodegradation of p-toluenesulphonamide by a Pseudomonas sp. FEMS microbiology letters 20011113
Palladium-catalyzed cyclization of allylsilanes with nucleophilic displacement of the silyl group. Chemistry (Weinheim an der Bergstrasse, Germany) 20011001
Improvement of the synthesis of diphenylmethyl 7beta-(o-hydroxy)benzylideneamino-3-hydroxymethyl-3-cephem-4-carboxylate. Farmaco (Societa chimica italiana : 1989) 20010801
Bis(mu-N-[2-(eta[5]-cyclopentadienyl)-ethyl]-4-toluenesulfonamido-N,O:O')-bis[bis(trifluoromethanesulfonato-O)-titanium(II)]bis(dichloromethane) solvate. Acta crystallographica. Section C, Crystal structure communications 20010401
Samarium(0) and 1,1'-dioctyl-4,4'-bipyridinium dibromide: a novel electron-transfer system for the chemoselective reduction of aromatic nitro groups. The Journal of organic chemistry 20010209
Performance of a proposed determinative method for p-TSA in rainbow trout fillet tissue and bridging the proposed method with a method for total chloramine-T residues in rainbow trout fillet tissue. Journal of AOAC International 20010101
Properties