Name: Name:3-[(cyanomethyl)sulfamoyl]-4-methylbenzoic acid
Brand: Angene
SKU: AG01A9PR
Rating: 90 (10 reviews)

3-[(cyanomethyl)sulfamoyl]-4-methylbenzoic acid

CAS No.:

1051333-34-6

Catalog Number:

AG01A9PR

Molecular Formula:

C10H10N2O4S

Molecular Weight:

254.2624

Catalog Number:

AG01A9PR

Chemical Name:

3-[(cyanomethyl)sulfamoyl]-4-methylbenzoic acid

CAS Number:

1051333-34-6

Molecular Formula:

C10H10N2O4S

Molecular Weight:

254.2624

MDL Number:

MFCD13197835

IUPAC Name:

3-(cyanomethylsulfamoyl)-4-methylbenzoic acid

InChI:

InChI=1S/C10H10N2O4S/c1-7-2-3-8(10(13)14)6-9(7)17(15,16)12-5-4-11/h2-3,6,12H,5H2,1H3,(H,13,14)

InChI Key:

MJTQRKUVVKQARB-UHFFFAOYSA-N

SMILES:

N#CCNS(=O)(=O)c1cc(ccc1C)C(=O)O

Complexity:

431

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.26g/mol

Monoisotopic Mass:

254.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6