3-bromo-4-methoxy-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-bromo-4-methoxy-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
3-bromo-4-methoxy-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6113-3330 |
| Compound Name: | 3-bromo-4-methoxy-N-{2-[(pyridin-2-yl)sulfanyl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 403.31 |
| Molecular Formula: | C14 H15 Br N2 O3 S2 |
| Smiles: | COc1ccc(cc1[Br])S(NCCSc1ccccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9317 |
| logD: | 2.9316 |
| logSw: | -3.4102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.877 |
| InChI Key: | NRJGXELIVVWUQT-UHFFFAOYSA-N |