5-chloro-N-(2-methyl-5-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-methyl-5-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(2-methyl-5-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0198 |
| Compound Name: | 5-chloro-N-(2-methyl-5-nitrophenyl)-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C15 H15 Cl N4 O5 S |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1cc(ccc1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7694 |
| logD: | 1.3832 |
| logSw: | -3.5007 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.463 |
| InChI Key: | IRYGIFCRTJSGJM-UHFFFAOYSA-N |