N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide
Formula:C16H11N3O3F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide |
| MolecularFormula | C16H11N3O3F6S |
| Smiles | O=C(CS(c1ncc(C(F)(F)F)cc1)(=O)=O)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H11F6N3O3S/c17-15(18,19)11-3-1-2-10(6-11)7-24-25-13(26)9-29(27,28)14-5-4-12(8-23-14)16(20,21)22/h1-8H,9H2,(H,25,26) |
| InChIK | VLZOPZLKIVKRDZ-UHFFFAOYSA-N |
| TotalMolweight | 439.335 |
| Molweight | 439.335 |
| MonoisotopicMass | 439.04253 |
| CLogP | 2.7323 |
| CLogS | -4.356 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 287.01 |
| Relative PSA | 0.26327 |
| PolarSurfaceArea | 96.87 |
| Druglikeness | -5.5783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide | 2 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide
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