N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide
Formula:C15H11N3O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetamide |
| MolecularFormula | C15H11N3O3ClF3S |
| Smiles | O=C(CS(c1ncc(C(F)(F)F)cc1)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11ClF3N3O3S/c16-12-4-1-10(2-5-12)7-21-22-13(23)9-26(24,25)14-6-3-11(8-20-14)15(17,18)19/h1-8H,9H2,(H,22,23) |
| InChIK | ZIGIRHSQPYBZSX-UHFFFAOYSA-N |
| TotalMolweight | 405.783 |
| Molweight | 405.783 |
| MonoisotopicMass | 405.016173 |
| CLogP | 2.49 |
| CLogS | -4.314 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 272.97 |
| Relative PSA | 0.27681 |
| PolarSurfaceArea | 96.87 |
| Druglikeness | -4.855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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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