N-(4-chlorophenyl)-4-[(2Z)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C19H13N4O4ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-4-[(2Z)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-4-[(2Z)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C19H13N4O4ClF2S |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c(c(F)ccc1)c1F)=O |
| InChI | InChI=1S/C19H13ClF2N4O4S/c20-12-4-6-13(7-5-12)25-31(29,30)14-8-9-18(19(10-14)26(27)28)24-23-11-15-16(21)2-1-3-17(15)22/h1-11,24-25H |
| InChIK | KWWXCUXLTNTYRI-UHFFFAOYSA-N |
| TotalMolweight | 466.851 |
| Molweight | 466.851 |
| MonoisotopicMass | 466.031409 |
| CLogP | 5.026 |
| CLogS | -6.306 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 320.83 |
| Relative PSA | 0.29121 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -6.0908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-4-[(2Z)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - N-(4-chlorophenyl)-4-[(2Z)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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