Home Sulfos Benzenesulfonamide, 4-(hydroxymethyl)- (9CI)

Benzenesulfonamide, 4-(hydroxymethyl)- (9CI)

CAS No.:
67472-44-0
Catalog Number:
AG00FJAY
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
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Product Description
Catalog Number:
AG00FJAY
Chemical Name:
Benzenesulfonamide, 4-(hydroxymethyl)- (9CI)
CAS Number:
67472-44-0
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00837254
IUPAC Name:
4-(hydroxymethyl)benzenesulfonamide
InChI:
InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
InChI Key:
UULCVOIRJRJPQS-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
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Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana. Bioorganic & medicinal chemistry 20120215
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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
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Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. Journal of medicinal chemistry 20090514
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
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Carbonic anhydrase inhibitors: the beta-carbonic anhydrase from Helicobacter pylori is a new target for sulfonamide and sulfamate inhibitors. Bioorganic & medicinal chemistry letters 20070701
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
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QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach. Bioorganic & medicinal chemistry letters 20060401
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Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides. Bioorganic & medicinal chemistry letters 20050901
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
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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
Carbonic anhydrase inhibitors: the first QSAR study on inhibition of tumor-associated isoenzyme IX with aromatic and heterocyclic sulfonamides. Bioorganic & medicinal chemistry letters 20040621
Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozyme IX with aromatic and heterocyclic sulfonamides. Bioorganic & medicinal chemistry letters 20030324
Carbonic anhydrase inhibitors. A general approach for the preparation of water-soluble sulfonamides incorporating polyamino-polycarboxylate tails and of their metal complexes possessing long-lasting, topical intraocular pressure-lowering properties. Journal of medicinal chemistry 20020328
Biodegradation of p-toluenesulphonamide by a Pseudomonas sp. FEMS microbiology letters 20011113
Carbonic anhydrase inhibitors: synthesis of sulfonamides incorporating dtpa tails and of their zinc complexes with powerful topical antiglaucoma properties. Bioorganic & medicinal chemistry letters 20010226
Properties