N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-2-(trifluoromethyl)benzenesulfonamide
Formula:C13H8N3O2Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-2-(trifluoromethyl)benzenesulfonamide is a drug-like molecule.
| MolName | N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-2-(trifluoromethyl)benzenesulfonamide |
| MolecularFormula | C13H8N3O2Cl2F3S |
| Smiles | O=S(c1c(C(F)(F)F)cccc1)(N/N=C/c1cc(Cl)nc(Cl)c1)=O |
| InChI | InChI=1S/C13H8Cl2F3N3O2S/c14-11-5-8(6-12(15)20-11)7-19-21-24(22,23)10-4-2-1-3-9(10)13(16,17)18/h1-7,21H |
| InChIK | SGKJINORFUGRRB-UHFFFAOYSA-N |
| TotalMolweight | 398.192 |
| Molweight | 398.192 |
| MonoisotopicMass | 396.966635 |
| CLogP | 3.5313 |
| CLogS | -2.897 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.88 |
| Relative PSA | 0.24338 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | -8.9699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-2-(trifluoromethyl)benzenesulfonamide | 2 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-2-(trifluoromethyl)benzenesulfonamide
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