N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-3-fluoro-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-0333 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-3-fluoro-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 329.43 |
| Molecular Formula: | C15 H24 F N3 O2 S |
| Smiles: | Cc1ccc(cc1F)S(N[C@@H]1CN(C)C[C@H]1CN(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5497 |
| logD: | -0.1882 |
| logSw: | -2.5455 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.922 |
| InChI Key: | PXIWEISIXRRXHV-WFASDCNBSA-N |