N-[(Z)-(4-chlorophenyl)methylideneamino]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonamide
Formula:C18H12N3O2Cl2F3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonamide |
| MolecularFormula | C18H12N3O2Cl2F3S2 |
| Smiles | O=S(c1ccc(Cc(ncc(C(F)(F)F)c2)c2Cl)s1)(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H12Cl2F3N3O2S2/c19-13-3-1-11(2-4-13)9-25-26-30(27,28)17-6-5-14(29-17)8-16-15(20)7-12(10-24-16)18(21,22)23/h1-7,9-10,26H,8H2 |
| InChIK | HGSHMUAECVJGGR-UHFFFAOYSA-N |
| TotalMolweight | 494.344 |
| Molweight | 494.344 |
| MonoisotopicMass | 492.970005 |
| CLogP | 5.2777 |
| CLogS | -5.133 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.34 |
| Relative PSA | 0.25397 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | -2.8421 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonamide
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