5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0525 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H23 Cl N4 O4 S |
| Smiles: | Cc1c(cccc1[Cl])S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0945 |
| logD: | 0.9789 |
| logSw: | -3.4043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | RBGJTSSBBFXRKN-UHFFFAOYSA-N |