CAS 57683-71-3 | (2-Methoxycarbonyl)benzene sulfonamide | CAS Number 57683-71-3

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57683-71-3 | (2-Methoxycarbonyl)benzene sulfonamide

CAS No: 57683-71-3 Catalog No: AG00376U MDL No:MFCD00009808

Product Description

Catalog Number:

AG00376U

Chemical Name:

(2-Methoxycarbonyl)benzene sulfonamide

CAS Number:

57683-71-3

Molecular Formula:

C8H9NO4S

Molecular Weight:

215.2264

MDL Number:

MFCD00009808

IUPAC Name:

methyl 2-sulfamoylbenzoate

InChI:

InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChI Key:

VSOOBQALJVLTBH-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccccc1S(=O)(=O)N

EC Number:

260-903-2

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.223g/mol

Monoisotopic Mass:

215.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Hydrolytic and photoinduced degradation of tribenuron methyl studied by HPLC-DAD-MS/MS.	Journal of the American Society for Mass Spectrometry 20080801
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II.	Bioorganic & medicinal chemistry letters 20050215
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.	Bioorganic & medicinal chemistry letters 20041115
Light-induced transformation of tribenuron-methyl on glass, soil, and plant surface.	Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20020301