3-[(benzenesulfonyl)amino]-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0186 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.99 |
| Molecular Formula: | C23 H22 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1)[Cl])c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1219 |
| logD: | 2.3831 |
| logSw: | -5.3592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | RWCCKQFLHOWSPF-UHFFFAOYSA-N |