4-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
Formula:C15H13N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide |
| MolecularFormula | C15H13N2O2ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C15H13ClN2O2S/c16-14-8-10-15(11-9-14)21(19,20)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H |
| InChIK | HIIRHKAWDYRMCN-UHFFFAOYSA-N |
| TotalMolweight | 320.799 |
| Molweight | 320.799 |
| MonoisotopicMass | 320.038625 |
| CLogP | 2.9014 |
| CLogS | -2.944 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.74 |
| Relative PSA | 0.21502 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 2.2913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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