4-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
Formula:C14H12N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C14H12N3O2F3S |
| Smiles | NS(c(cc1)ccc1N/N=C\c1c(C(F)(F)F)cccc1)(=O)=O |
| InChI | InChI=1S/C14H12F3N3O2S/c15-14(16,17)13-4-2-1-3-10(13)9-19-20-11-5-7-12(8-6-11)23(18,21)22/h1-9,20H,(H2,18,21,22) |
| InChIK | QRKOKKWMENQJRO-UHFFFAOYSA-N |
| TotalMolweight | 343.328 |
| Molweight | 343.328 |
| MonoisotopicMass | 343.060231 |
| CLogP | 4.4532 |
| CLogS | -3.826 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 235.8 |
| Relative PSA | 0.28338 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | -6.0808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide | 2 - 4-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
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