| CAS Number | 519153-07-2 |
| Catalog Number | AG019GO1(AGN-PC-0KF9ND) |
| Chemical Name | 4-[(2-methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-[(2-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13NO4S/c1-10-4-2-3-5-13(10)15-20(18,19)12-8-6-11(7-9-12)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChI Key | VPMPYAXGUXACTQ-UHFFFAOYSA-N |
| MDL Number | MFCD03480286 |
| Molecular Formula | C14H13NO4S |
| Molecular Weight | 291.3223 |
| SMILES | CC1=C(NS(C2=CC=C(C(O)=O)C=C2)(=O)=O)C=CC=C1 |
| Synonyms | 4-[(2-methylphenyl)sulfamoyl]benzoic Acid,
4-o-tolylsulfamoyl-benzoic acid,
519153-07-2,
AC1M5NU9,
AC1Q2G4Q,
CHEMBL390347,
ZINC3239691,
AKOS000114866,
MCULE-7675816739,
NE29128,
EN300-00628,
Z45630660,
CID2357280,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.321g/mol |
| Monoisotopic Mass | 291.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number