CAS 837-18-3 | N-BENZYLBENZENESULFONAMIDE | CAS Number 837-18-3

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837-18-3 | N-BENZYLBENZENESULFONAMIDE

CAS No: 837-18-3 Catalog No: AG00G3YY MDL No:MFCD00092709

Product Description

Catalog Number:

AG00G3YY

Chemical Name:

N-BENZYLBENZENESULFONAMIDE

CAS Number:

837-18-3

Molecular Formula:

C13H13NO2S

Molecular Weight:

247.3128

MDL Number:

MFCD00092709

IUPAC Name:

N-benzylbenzenesulfonamide

InChI:

InChI=1S/C13H13NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-10,14H,11H2

InChI Key:

GRTPAOVVVLZLDP-UHFFFAOYSA-N

SMILES:

O=S(=O)(c1ccccc1)NCc1ccccc1

NSC Number:

25016

Properties

Complexity:

309

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:

2.4

Literature

Title	Journal
Design, synthesis, and evaluation of thiol-activated sources of sulfur dioxide (SO₂) as antimycobacterial agents.	Journal of medicinal chemistry 20120112
N-Benzo-ylbenzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20091001