N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide
Formula:C21H14N4O3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide |
| MolecularFormula | C21H14N4O3Cl2S |
| Smiles | N#Cc1ccc(/C=N\NC(c2cccc(S(Nc(cc(cc3)Cl)c3Cl)(=O)=O)c2)=O)cc1 |
| InChI | InChI=1S/C21H14Cl2N4O3S/c22-17-8-9-19(23)20(11-17)27-31(29,30)18-3-1-2-16(10-18)21(28)26-25-13-15-6-4-14(12-24)5-7-15/h1-11,13,27H,(H,26,28) |
| InChIK | QMNWZUWYCSRQDQ-UHFFFAOYSA-N |
| TotalMolweight | 473.339 |
| Molweight | 473.339 |
| MonoisotopicMass | 472.016365 |
| CLogP | 4.5483 |
| CLogS | -7.299 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.34 |
| Relative PSA | 0.26407 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | -7.0517 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[(2,5-dichlorophenyl)sulfamoyl]benzamide
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