N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide
Formula:C14H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H11N3O2S |
| Smiles | N#Cc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1 |
| InChI | InChI=1S/C14H11N3O2S/c15-10-12-6-8-13(9-7-12)11-16-17-20(18,19)14-4-2-1-3-5-14/h1-9,11,17H |
| InChIK | FWANZNVPCBFZLT-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 2.1127 |
| CLogS | -2.689 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.53 |
| Relative PSA | 0.29659 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -13.627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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