N-(4-chlorophenyl)-4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C20H14N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C20H14N5O4ClS |
| Smiles | N#Cc1ccc(/C=N\Nc(ccc(S(Nc(cc2)ccc2Cl)(=O)=O)c2)c2[N+]([O-])=O)cc1 |
| InChI | InChI=1S/C20H14ClN5O4S/c21-16-5-7-17(8-6-16)25-31(29,30)18-9-10-19(20(11-18)26(27)28)24-23-13-15-3-1-14(12-22)2-4-15/h1-11,13,24-25H |
| InChIK | CAEUITIXIPMNQW-UHFFFAOYSA-N |
| TotalMolweight | 455.881 |
| Molweight | 455.881 |
| MonoisotopicMass | 455.045502 |
| CLogP | 4.66 |
| CLogS | -6.451 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 329.84 |
| Relative PSA | 0.32437 |
| PolarSurfaceArea | 148.55 |
| Druglikeness | -11.732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - N-(4-chlorophenyl)-4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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