| CAS Number | 438021-88-6 |
| Catalog Number | AG019GLJ |
| Chemical Name | 3-[(3-Chlorophenyl)sulfamoyl]-4-methylbenzoic acid |
| IUPAC Name | 3-[(3-chlorophenyl)sulfamoyl]-4-methylbenzoic acid |
| InChI | InChI=1S/C14H12ClNO4S/c1-9-5-6-10(14(17)18)7-13(9)21(19,20)16-12-4-2-3-11(15)8-12/h2-8,16H,1H3,(H,17,18) |
| InChI Key | GDSRKKAEEKYVAQ-UHFFFAOYSA-N |
| MDL Number | MFCD02712878 |
| Molecular Formula | C14H12ClNO4S |
| Molecular Weight | 325.7674 |
| SMILES | CC1=C(S(NC2=CC(Cl)=CC=C2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[(3-chlorophenyl)sulfamoyl]-4-methylbenzoic acid,
438021-88-6,
3-(3-Chloro-phenylsulfamoyl)-4-methyl-benzoic acid,
AC1M5KEZ,
AC1Q2LUH,
CTK6H2829,
ZINC3211052,
AKOS000115016,
MCULE-1401002932,
NE27112,
EN300-00492,
Z56802205,
CID2330620,
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-benzoic Acid,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.763g/mol |
| Monoisotopic Mass | 325.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number