N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
Formula:C14H11N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H11N2O2F3S |
| Smiles | O=S(c1ccccc1)(N/N=C\c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C14H11F3N2O2S/c15-14(16,17)12-6-4-5-11(9-12)10-18-19-22(20,21)13-7-2-1-3-8-13/h1-10,19H |
| InChIK | NIIYQNDZNFYIKS-UHFFFAOYSA-N |
| TotalMolweight | 328.313 |
| Molweight | 328.313 |
| MonoisotopicMass | 328.049332 |
| CLogP | 3.1254 |
| CLogS | -2.694 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.28 |
| Relative PSA | 0.22681 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -12.195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
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