| CAS Number | 325724-62-7 |
| Catalog Number | AG00I665(AGN-PC-0WR4GA) |
| Chemical Name | 4-Chloro-3-[(4-chlorophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H9Cl2NO4S/c14-9-2-4-10(5-3-9)16-21(19,20)12-7-8(13(17)18)1-6-11(12)15/h1-7,16H,(H,17,18) |
| InChI Key | OHSURHKNUAUYHW-UHFFFAOYSA-N |
| MDL Number | MFCD01122312 |
| Molecular Formula | C13H9Cl2NO4S |
| Molecular Weight | 346.1859 |
| SMILES | OC(C1=CC(S(NC2=CC=C(Cl)C=C2)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 4-Chloro-3-(4-chloro-phenylsulfamoyl)-benzoic acid,
325724-62-7,
4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoic acid,
BAS 00679976,
AC1LGF3N,
AC1Q72RX,
Oprea1_205967,
Oprea1_363687,
AC1Q738C,
CTK6H0659,
ZINC296069,
MFCD01122312,
AKOS000114695,
MCULE-4823666725,
NE41129,
ST50237677,
EN300-00342,
4-chloro-3-{[(4-chlorophenyl)amino]sulfonyl}benzoic acid,
CID793727,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.178g/mol |
| Monoisotopic Mass | 344.963g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number