CAS 13587-57-0 | Benzenesulfonamide, N-(3-methylphenyl)- | CAS Number 13587-57-0

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13587-57-0 | Benzenesulfonamide, N-(3-methylphenyl)-

CAS No: 13587-57-0 Catalog No: AG0072AH MDL No:MFCD00584621

Product Description

Catalog Number:

AG0072AH

Chemical Name:

Benzenesulfonamide, N-(3-methylphenyl)-

CAS Number:

13587-57-0

Molecular Formula:

C13H13NO2S

Molecular Weight:

247.3128

MDL Number:

MFCD00584621

IUPAC Name:

N-(3-methylphenyl)benzenesulfonamide

InChI:

InChI=1S/C13H13NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h2-10,14H,1H3

InChI Key:

HZGIAHQDIKAYKS-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)NS(=O)(=O)c1ccccc1

Properties

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.312g/mol

Monoisotopic Mass:

247.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
2,4-Dichloro-N-(2-methyl-phen-yl)benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20101001
2,4-Dimethyl-N-(3-methyl-phen-yl)benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20100401
N-(3-Methyl-phen-yl)benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20100201
4-Chloro-2-methyl-N-(3-methyl-phen-yl)benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20100101