4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-3829 |
| Compound Name: | 4-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C17 H22 Cl N5 O2 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NS(c1ccc(cc1)[Cl])(=O)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4615 |
| logD: | 0.5832 |
| logSw: | -3.3003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.068 |
| InChI Key: | YFIPOWBKPLLLIO-BBRMVZONSA-N |