| CAS Number | 138964-58-6 |
| Catalog Number | AG01AA04(AGN-PC-00JQ7O) |
| Chemical Name | 2-Benzenesulfonamido-5-chlorobenzoic acid |
| IUPAC Name | 2-(benzenesulfonamido)-5-chlorobenzoic acid |
| InChI | InChI=1S/C13H10ClNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17) |
| InChI Key | VHCWWQHZZNFJRT-UHFFFAOYSA-N |
| MDL Number | MFCD09044105 |
| Molecular Formula | C13H10ClNO4S |
| Molecular Weight | 311.7408 |
| SMILES | OC(C1=C(NS(C2=CC=CC=C2)(=O)=O)C=CC(Cl)=C1)=O |
| Synonyms | 2-benzenesulfonamido-5-chlorobenzoic acid,
138964-58-6,
AC1Q72GV,
SCHEMBL1139356,
CTK6G7554,
VHCWWQHZZNFJRT-UHFFFAOYSA-N,
ZINC13263428,
AKOS002434082,
MCULE-2916735465,
NE25460,
2-phenylsulfonylamino-5-chlorobenzoic Acid,
EN300-66680,
5-CHLORO-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.736g/mol |
| Monoisotopic Mass | 311.002g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number