4-(2-{[rel-(3R,4S)-4-(4-chlorobenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(2-{[rel-(3R,4S)-4-(4-chlorobenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide
4-(2-{[rel-(3R,4S)-4-(4-chlorobenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D470-2221 |
| Compound Name: | 4-(2-{[rel-(3R,4S)-4-(4-chlorobenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 493.02 |
| Molecular Formula: | C18 H21 Cl N2 O6 S3 |
| Smiles: | C(CN[C@H]1CS(C[C@@H]1S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.062 |
| logD: | 0.0611 |
| logSw: | -2.2849 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.293 |
| InChI Key: | HJZIOPJUPDIMMB-ROUUACIJSA-N |