4-(2-{[rel-(3R,4S)-4-(4-methoxybenzene-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-methoxybenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide
4-(2-{[rel-(3R,4S)-4-(4-methoxybenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D470-2039 |
| Compound Name: | 4-(2-{[rel-(3R,4S)-4-(4-methoxybenzene-1-sulfonyl)-1,1-dioxo-1lambda~6~-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C19 H24 N2 O7 S3 |
| Smiles: | COc1ccc(cc1)S([C@H]1CS(C[C@@H]1NCCc1ccc(cc1)S(N)(=O)=O)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | -0.5504 |
| logD: | -0.5512 |
| logSw: | -1.6693 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.837 |
| InChI Key: | HNVILRXINBMFNG-RTBURBONSA-N |