| CAS Number | 727689-55-6 |
| Catalog Number | AG00FFVX(AGN-PC-0WBQAP) |
| Chemical Name | 4-[[(3-Chlorophenyl)sulfonyl]amino]benzoic acid |
| IUPAC Name | 4-[(3-chlorophenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C13H10ClNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | JQVIQJNDKGSTPV-UHFFFAOYSA-N |
| MDL Number | MFCD05866548 |
| Molecular Formula | C13H10ClNO4S |
| Molecular Weight | 311.7408 |
| SMILES | Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)O |
| Synonyms | 727689-55-6,
4-((3-chlorophenyl)sulfonamido)benzoic acid,
MFCD05866548,
4-(3-Chlorophenylsulfonylamino)benzoic acid,
4-[(3-chlorophenyl)sulfonylamino]benzoic Acid,
AC1LQ85D,
SCHEMBL5329565,
ZINC1123449,
AKOS000813196,
MCULE-7166204854,
VU0618383-1,
4-(3-Chlorophenylsulfonylamino)benzoic acid, 96%,
SR-01000281731,
SR-01000281731-1,
F3394-1125,
CID1299802,
4-([(3-CHLOROPHENYL)SULFONYL]AMINO)BENZOIC ACID,
|
| Complexity | 440 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number