5-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
Compound ID: | F290-0516 |
Compound Name: | 5-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
Molecular Weight: | 448.93 |
Molecular Formula: | C20 H21 Cl N4 O4 S |
Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccccc1[Cl])(=O)=O)C#N |
Stereo: | ACHIRAL |
logP: | 2.3899 |
logD: | 0.2742 |
logSw: | -3.2831 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.73 |
InChI Key: | KEDRFMYCQADXBF-UHFFFAOYSA-N |