4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Compound characteristics
Compound ID: | 4970-0718 |
Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide |
Molecular Weight: | 439.37 |
Molecular Formula: | C18 H12 F3 N3 O5 S |
Smiles: | C1Oc2ccc(/C=C3/C(C(F)(F)F)=NN(C3=O)c3ccc(cc3)S(N)(=O)=O)cc2O1 |
Stereo: | ACHIRAL |
logP: | 2.2908 |
logD: | 2.2897 |
logSw: | -2.8965 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.132 |
InChI Key: | CYPUIUZQXUELMJ-UHFFFAOYSA-N |