| CAS Number | 147410-77-3 |
| Catalog Number | AG019GKG(AGN-PC-0JWR94) |
| Chemical Name | 3-[(4-Methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(4-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13NO4S/c1-10-5-7-12(8-6-10)15-20(18,19)13-4-2-3-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17) |
| InChI Key | ZKULNPUGFSHGPW-UHFFFAOYSA-N |
| MDL Number | MFCD00622728 |
| Molecular Formula | C14H13NO4S |
| Molecular Weight | 291.3223 |
| SMILES | CC1=CC=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=C1 |
| Synonyms | 3-[(4-methylphenyl)sulfamoyl]benzoic acid,
147410-77-3,
3-p-Tolylsulfamoyl-benzoic acid,
AC1Q2MLX,
AC1LHA92,
Oprea1_201807,
Oprea1_248122,
ZINC360775,
STK229837,
AKOS000114759,
MCULE-6323371836,
NE29396,
EN300-00438,
3-{[(4-methylphenyl)amino]sulfonyl}benzoic acid,
CID834756,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number