Name: Name:Benzoic acid,4-(aminosulfonyl)-, methyl ester
Brand: Angene
SKU: AG0037RW
Rating: 90 (10 reviews)

Benzoic acid,4-(aminosulfonyl)-, methyl ester

CAS No.:

22808-73-7

Catalog Number:

AG0037RW

Molecular Formula:

C8H9NO4S

Molecular Weight:

215.2264

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG0037RW

Chemical Name:

Benzoic acid,4-(aminosulfonyl)-, methyl ester

CAS Number:

22808-73-7

Molecular Formula:

C8H9NO4S

Molecular Weight:

215.2264

MDL Number:

MFCD03768500

IUPAC Name:

methyl 4-sulfamoylbenzoate

InChI:

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

InChI Key:

XLOVNJUCAFIANM-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)S(=O)(=O)N

EC Number:

245-235-1

NSC Number:

251214

Properties

Complexity:

298

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:

0.6

Literature

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

Properties