HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
![5-Bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid molecular structure](/img/chemical/1069140.png)
Identifiers & Physical Properties
| CAS No. | 107143-69-1 |
|---|---|
| Molecular formula | C13H9BrClNO4S |
| Average molar mass | 390.64 g/mol |
| Monoisotopic mass | 388.91242 g/mol |
| SMILES | O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 |
| InChIKey | JDVLYAYDIMUAAC-UHFFFAOYSA-N |
| PubChem CID | 1069140 |
| ChEMBL | CHEMBL212522 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 91.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 473 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |