5-amino-1-(4-chlorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3-fluorobenzoate
Chemical Structure Depiction of
5-amino-1-(4-chlorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3-fluorobenzoate
5-amino-1-(4-chlorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3-fluorobenzoate
Compound characteristics
| Compound ID: | C050-0109 |
| Compound Name: | 5-amino-1-(4-chlorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 3-fluorobenzoate |
| Molecular Weight: | 395.79 |
| Molecular Formula: | C16 H11 Cl F N3 O4 S |
| Smiles: | c1cc(cc(c1)F)C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9425 |
| logD: | 2.9425 |
| logSw: | -3.6922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.745 |
| InChI Key: | KDTLBSMCZVYXSP-UHFFFAOYSA-N |