| CAS Number | 325721-56-0 |
| Catalog Number | AG019GL0 |
| Chemical Name | 2-Chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12ClNO4S/c1-16(10-5-3-2-4-6-10)21(19,20)11-7-8-13(15)12(9-11)14(17)18/h2-9H,1H3,(H,17,18) |
| InChI Key | NAZKDUFIGADRGV-UHFFFAOYSA-N |
| MDL Number | MFCD02648191 |
| Molecular Formula | C14H12ClNO4S |
| Molecular Weight | 325.7674 |
| SMILES | OC(=O)c1cc(ccc1Cl)S(=O)(=O)N(c1ccccc1)C |
| Synonyms | 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid,
325721-56-0,
2-Chloro-5-(methyl-phenyl-sulfamoyl)-benzoic acid,
AC1M5HXT,
AC1Q3X4F,
CTK7I6795,
ZINC3208134,
AKOS000115022,
MCULE-9238235992,
NE36193,
EN300-00469,
SR-01000030119,
SR-01000030119-1,
Z45619624,
CID2329158,
2-chloro-5-(methyl-phenyl-sulfamoyl)benzoic Acid,
|
| Complexity | 470 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.763g/mol |
| Monoisotopic Mass | 325.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number