Name: Name:Benzoic acid, 4-(aminosulfonyl)-3-methyl-, methyl ester
Brand: Angene
SKU: AG0049NL
Rating: 90 (10 reviews)

Benzoic acid, 4-(aminosulfonyl)-3-methyl-, methyl ester

CAS No.:

882980-76-9

Catalog Number:

AG0049NL

Molecular Formula:

C9H11NO4S

Molecular Weight:

229.2529

Catalog Number:

AG0049NL

Chemical Name:

Benzoic acid, 4-(aminosulfonyl)-3-methyl-, methyl ester

CAS Number:

882980-76-9

Molecular Formula:

C9H11NO4S

Molecular Weight:

229.2529

MDL Number:

MFCD11650725

IUPAC Name:

methyl 3-methyl-4-sulfamoylbenzoate

InChI:

InChI=1S/C9H11NO4S/c1-6-5-7(9(11)14-2)3-4-8(6)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13)

InChI Key:

JWKLJSNFTQZXAR-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)C)S(=O)(=O)N

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.25g/mol

Monoisotopic Mass:

229.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7