N-[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]benzenesulfonamide
Formula:C19H13N3O2ClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C19H13N3O2ClF3S2 |
| Smiles | O=S(c1ccccc1)(N/N=C\c(ncc(C(F)(F)F)c1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H13ClF3N3O2S2/c20-14-6-8-15(9-7-14)29-18-10-13(19(21,22)23)11-24-17(18)12-25-26-30(27,28)16-4-2-1-3-5-16/h1-12,26H |
| InChIK | QOAWIDWZKYBYAJ-UHFFFAOYSA-N |
| TotalMolweight | 471.91 |
| Molweight | 471.91 |
| MonoisotopicMass | 471.008978 |
| CLogP | 4.6056 |
| CLogS | -4.445 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.71 |
| Relative PSA | 0.25104 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -11.537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]benzenesulfonamide
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