N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
Formula:C20H14N4O4ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C20H14N4O4ClF3S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C/c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C20H14ClF3N4O4S/c21-16-7-3-4-8-17(16)27-33(31,32)19-11-14(28(29)30)9-10-18(19)26-25-12-13-5-1-2-6-15(13)20(22,23)24/h1-12,26-27H |
| InChIK | IXGUBRWLGNQIPV-UHFFFAOYSA-N |
| TotalMolweight | 498.868 |
| Molweight | 498.868 |
| MonoisotopicMass | 498.037637 |
| CLogP | 5.6727 |
| CLogS | -6.456 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 337.59 |
| Relative PSA | 0.27676 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -12.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide | 2 - N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
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