N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
Formula:C22H17N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C22H17N4O2FS |
| Smiles | O=S(c1ccccc1)(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)=O |
| InChI | InChI=1S/C22H17FN4O2S/c23-19-13-11-17(12-14-19)22-18(16-27(25-22)20-7-3-1-4-8-20)15-24-26-30(28,29)21-9-5-2-6-10-21/h1-16,26H |
| InChIK | NPDGVEHAZQNWPF-UHFFFAOYSA-N |
| TotalMolweight | 420.467 |
| Molweight | 420.467 |
| MonoisotopicMass | 420.105624 |
| CLogP | 3.2969 |
| CLogS | -3.743 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.65 |
| Relative PSA | 0.22265 |
| PolarSurfaceArea | 84.73 |
| Druglikeness | -2.7056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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