CAS 16803-95-5 | Benzenesulfonamide, 4-amino-N-(4-methylphenyl)- | CAS Number 16803-95-5

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16803-95-5 | Benzenesulfonamide, 4-amino-N-(4-methylphenyl)-

CAS No: 16803-95-5 Catalog No: AG001XRB MDL No:MFCD01140092

Product Description

Catalog Number:

AG001XRB

Chemical Name:

Benzenesulfonamide, 4-amino-N-(4-methylphenyl)-

CAS Number:

16803-95-5

Molecular Formula:

C13H14N2O2S

Molecular Weight:

262.3275

MDL Number:

MFCD01140092

IUPAC Name:

4-amino-N-(4-methylphenyl)benzenesulfonamide

InChI:

InChI=1S/C13H14N2O2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,14H2,1H3

InChI Key:

QXIZWXNTAVXJNC-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N

Properties

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.327g/mol

Monoisotopic Mass:

262.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Design and synthesis of benzenesulfonanilides active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus.	Bioorganic & medicinal chemistry 20080601
Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors.	Bioorganic & medicinal chemistry 20070115