N-(4-chlorophenyl)-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C19H14N4O4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C19H14N4O4ClFS |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c(cccc1)c1F)=O |
| InChI | InChI=1S/C19H14ClFN4O4S/c20-14-5-7-15(8-6-14)24-30(28,29)16-9-10-18(19(11-16)25(26)27)23-22-12-13-3-1-2-4-17(13)21/h1-12,23-24H |
| InChIK | WNOOVLFWKVDXCK-UHFFFAOYSA-N |
| TotalMolweight | 448.861 |
| Molweight | 448.861 |
| MonoisotopicMass | 448.040831 |
| CLogP | 4.9252 |
| CLogS | -5.992 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 314.48 |
| Relative PSA | 0.29709 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -4.5506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - N-(4-chlorophenyl)-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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