| CAS Number | 199181-50-5 |
| Catalog Number | AG00ABU2(AGN-PC-0KSHY6) |
| Chemical Name | 4-(4-CHLORO-PHENYLSULFAMOYL)-BENZOIC ACID |
| IUPAC Name | 4-[(4-chlorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H10ClNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | XCJFUMVQXOEQIJ-UHFFFAOYSA-N |
| MDL Number | MFCD03478359 |
| Molecular Formula | C13H10ClNO4S |
| Molecular Weight | 311.7408 |
| SMILES | O=C(O)C1=CC=C(S(=O)(NC2=CC=C(Cl)C=C2)=O)C=C1 |
| Synonyms | 4-(4-chloro-phenylsulfamoyl)-benzoic acid,
4-[(4-chlorophenyl)sulfamoyl]benzoic Acid,
199181-50-5,
4-(N-(4-Chlorophenyl)sulfamoyl)benzoic acid,
AC1MNFO6,
Oprea1_749331,
AC1Q737D,
CHEMBL390844,
CTK6H0671,
ZINC3884868,
AKOS000114954,
MCULE-3775475315,
NE12495,
EN300-00592,
J-513491,
CID3326994,
|
| Complexity | 432 |
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number