5-chloro-2-(methanesulfonyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methanesulfonyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide
5-chloro-2-(methanesulfonyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0008 |
| Compound Name: | 5-chloro-2-(methanesulfonyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 356.74 |
| Molecular Formula: | C12 H9 Cl N4 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5957 |
| logD: | 0.1403 |
| logSw: | -2.7508 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.873 |
| InChI Key: | CGDQESVTSDHNKE-UHFFFAOYSA-N |