3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
Formula:C21H15N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N4O3ClS |
| Smiles | N#Cc1ccc(/C=N\NC(c2cccc(S(Nc(cccc3)c3Cl)(=O)=O)c2)=O)cc1 |
| InChI | InChI=1S/C21H15ClN4O3S/c22-19-6-1-2-7-20(19)26-30(28,29)18-5-3-4-17(12-18)21(27)25-24-14-16-10-8-15(13-23)9-11-16/h1-12,14,26H,(H,25,27) |
| InChIK | PGATWNNUBKUFSK-UHFFFAOYSA-N |
| TotalMolweight | 438.894 |
| Molweight | 438.894 |
| MonoisotopicMass | 438.055338 |
| CLogP | 3.9423 |
| CLogS | -6.563 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 323.92 |
| Relative PSA | 0.27664 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | -7.3976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
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