Name: Name:5-[(2-methoxyphenyl)(methyl)sulfamoyl]-2-methylbenzoic acid
Brand: Angene
SKU: AG019GLW
Rating: 90 (10 reviews)

5-[(2-methoxyphenyl)(methyl)sulfamoyl]-2-methylbenzoic acid

CAS No.:

380342-16-5

Catalog Number:

AG019GLW

Molecular Formula:

C16H17NO5S

Molecular Weight:

335.3749

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Product Description

Catalog Number:

AG019GLW

Chemical Name:

5-[(2-methoxyphenyl)(methyl)sulfamoyl]-2-methylbenzoic acid

CAS Number:

380342-16-5

Molecular Formula:

C16H17NO5S

Molecular Weight:

335.3749

MDL Number:

MFCD02725171

IUPAC Name:

5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid

InChI:

InChI=1S/C16H17NO5S/c1-11-8-9-12(10-13(11)16(18)19)23(20,21)17(2)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3,(H,18,19)

InChI Key:

VFXOEAGOHDEMBF-UHFFFAOYSA-N

SMILES:

COc1ccccc1N(S(=O)(=O)c1ccc(c(c1)C(=O)O)C)C

Properties

Complexity:

515

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.374g/mol

Monoisotopic Mass:

335.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

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