CAS 5183-78-8 | N-Methylbenzenesulfonamide | CAS Number 5183-78-8

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5183-78-8 | N-Methylbenzenesulfonamide

CAS No: 5183-78-8 Catalog No: AG0035EB MDL No:MFCD00025023

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.214g/mol

Monoisotopic Mass:

171.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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