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Home Sulfos N-methylbenzenesulfonamide

N-methylbenzenesulfonamide

CAS No.:
5183-78-8
Catalog Number:
AG0035EB
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$44
- +
25g
97%
In Stock USA
United States
$82
- +
100g
97%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0035EB
Chemical Name:
N-methylbenzenesulfonamide
CAS Number:
5183-78-8
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00025023
IUPAC Name:
N-methylbenzenesulfonamide
InChI:
InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChI Key:
SVDVKEBISAOWJT-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccccc1
EC Number:
225-965-7
NSC Number:
15404
Properties
Complexity:
199  
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:
2  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
N,N'-[(1S,2S)-Cyclo-hexane-1,2-di-yl]bis-(4-methyl-benzene-sulfonamide). Acta crystallographica. Section E, Structure reports online 20110501
4-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20110401
N-(3,4-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20110101
3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors. International journal of molecular sciences 20110101
N-(4-Chloro-pyridin-2-yl)-N-meth-oxy-methyl-4-methyl-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20101201
4-Methyl-N-(4-methyl-benzo-yl)benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20100601
Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM. Journal of chemical information and modeling 20100101
Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit. PLoS neglected tropical diseases 20090201
Properties