N-[3-(4-chlorobenzene-1-sulfonyl)-5-methoxyphenyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-chlorobenzene-1-sulfonyl)-5-methoxyphenyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[3-(4-chlorobenzene-1-sulfonyl)-5-methoxyphenyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0644 |
| Compound Name: | N-[3-(4-chlorobenzene-1-sulfonyl)-5-methoxyphenyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 450.86 |
| Molecular Formula: | C18 H15 Cl N4 O6 S |
| Smiles: | Cn1cc(c(C(Nc2cc(cc(c2)S(c2ccc(cc2)[Cl])(=O)=O)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9506 |
| logD: | 2.6958 |
| logSw: | -3.7063 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.81 |
| InChI Key: | RKETYBZHJWTOAZ-UHFFFAOYSA-N |