5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | C050-0260 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 436.83 |
| Molecular Formula: | C17 H13 Cl N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8635 |
| logD: | 2.8635 |
| logSw: | -3.6429 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.826 |
| InChI Key: | GNTPPXWMEQCHIE-UHFFFAOYSA-N |