N-[(Z)-benzylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide
Formula:C15H12N3O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide |
| MolecularFormula | C15H12N3O3F3S |
| Smiles | O=C(CS(c1ncc(C(F)(F)F)cc1)(=O)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12F3N3O3S/c16-15(17,18)12-6-7-14(19-9-12)25(23,24)10-13(22)21-20-8-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22) |
| InChIK | QBWGBGXMBPHFIP-UHFFFAOYSA-N |
| TotalMolweight | 371.338 |
| Molweight | 371.338 |
| MonoisotopicMass | 371.055146 |
| CLogP | 1.884 |
| CLogS | -3.578 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.55 |
| Relative PSA | 0.29338 |
| PolarSurfaceArea | 96.87 |
| Druglikeness | -5.7401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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