4-methyl-3-nitro-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
4-methyl-3-nitro-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5905-1560 |
| Compound Name: | 4-methyl-3-nitro-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C14 H15 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(NCCSc1ccccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8938 |
| logD: | 2.8937 |
| logSw: | -3.4765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.328 |
| InChI Key: | MGMBFYUIGLFPEC-UHFFFAOYSA-N |