5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate
Compound characteristics
| Compound ID: | C050-0259 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-5-nitrobenzoate |
| Molecular Weight: | 436.83 |
| Molecular Formula: | C17 H13 Cl N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4709 |
| logD: | 3.4709 |
| logSw: | -4.0907 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.127 |
| InChI Key: | POWYNRVWNKJVTM-UHFFFAOYSA-N |