5-[(5-chlorothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0505 |
| Compound Name: | 5-[(5-chlorothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C18 H19 Cl N4 O4 S2 |
| Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Cl])(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.7793 |
| logD: | 0.6636 |
| logSw: | -3.5456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.748 |
| InChI Key: | ZGTIUJCSMRGIQK-UHFFFAOYSA-N |