5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
Chemical Structure Depiction of
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | C050-0302 |
| Compound Name: | 5-amino-1-(4-fluorobenzene-1-sulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate |
| Molecular Weight: | 406.35 |
| Molecular Formula: | C16 H11 F N4 O6 S |
| Smiles: | c1cc(ccc1C(=O)Oc1cc(N)n(n1)S(c1ccc(cc1)F)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2999 |
| logD: | 2.2999 |
| logSw: | -2.8933 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.127 |
| InChI Key: | IGHREUHDXJUBJU-UHFFFAOYSA-N |