3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C22H18N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C22H18N3O3ClS |
| Smiles | O=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H18ClN3O3S/c23-19-11-13-20(14-12-19)26-30(28,29)21-10-4-9-18(16-21)22(27)25-24-15-5-8-17-6-2-1-3-7-17/h1-16,26H,(H,25,27) |
| InChIK | WGKLJUJAFSGPNM-UHFFFAOYSA-N |
| TotalMolweight | 439.922 |
| Molweight | 439.922 |
| MonoisotopicMass | 439.075739 |
| CLogP | 4.125 |
| CLogS | -6.082 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 328.71 |
| Relative PSA | 0.23136 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | 0.50123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
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