Name: Name:Benzoic acid,2-[(methylphenylamino)sulfonyl]-
Brand: Angene
SKU: AG007KYX
Rating: 90 (10 reviews)

Benzoic acid,2-[(methylphenylamino)sulfonyl]-

CAS No.:

26638-45-9

Catalog Number:

AG007KYX

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

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Product Description

Catalog Number:

AG007KYX

Chemical Name:

Benzoic acid,2-[(methylphenylamino)sulfonyl]-

CAS Number:

26638-45-9

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

MDL Number:

MFCD06357419

IUPAC Name:

2-[methyl(phenyl)sulfamoyl]benzoic acid

InChI:

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

InChI Key:

MWTSGTPAIDQPQC-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1S(=O)(=O)N(c1ccccc1)C

Properties

Complexity:

437

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:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101