CAS 10038-81-0 | Benzoic acid, 2-[(phenylsulfonyl)amino]-, methyl ester | CAS Number 10038-81-0

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10038-81-0 | Benzoic acid, 2-[(phenylsulfonyl)amino]-, methyl ester

CAS No: 10038-81-0 Catalog No: AG0001U6 MDL No:

Product Description

Catalog Number:

AG0001U6

Chemical Name:

Benzoic acid, 2-[(phenylsulfonyl)amino]-, methyl ester

CAS Number:

10038-81-0

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

IUPAC Name:

methyl 2-(benzenesulfonamido)benzoate

InChI:

InChI=1S/C14H13NO4S/c1-19-14(16)12-9-5-6-10-13(12)15-20(17,18)11-7-3-2-4-8-11/h2-10,15H,1H3

InChI Key:

BNUYGKDUWNWOIS-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1

NSC Number:

405691

Properties

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.321g/mol

Monoisotopic Mass:

291.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Methyl 2-benzene-sulfonamido-benzoate.	Acta crystallographica. Section E, Structure reports online 20100801