4-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
Formula:C14H10N2O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H10N2O2ClF3S |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C14H10ClF3N2O2S/c15-11-5-7-12(8-6-11)23(21,22)20-19-9-10-3-1-2-4-13(10)14(16,17)18/h1-9,20H |
| InChIK | QFRDUGNIXDGRQS-UHFFFAOYSA-N |
| TotalMolweight | 362.758 |
| Molweight | 362.758 |
| MonoisotopicMass | 362.010359 |
| CLogP | 3.7314 |
| CLogS | -3.43 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.7 |
| Relative PSA | 0.2124 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -6.3797 |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide | 2 - 4-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
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