5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate
Chemical Structure Depiction of
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate
5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate
Compound characteristics
| Compound ID: | C050-0257 |
| Compound Name: | 5-amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl 2-chloro-6-fluorobenzoate |
| Molecular Weight: | 409.82 |
| Molecular Formula: | C17 H13 Cl F N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(n1c(cc(n1)OC(c1c(cccc1[Cl])F)=O)N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1771 |
| logD: | 3.1771 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | WAVCYMIGMRNRNF-UHFFFAOYSA-N |