4-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide
Formula:C14H10N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C14H10N3O2BrS |
| Smiles | N#Cc1ccc(/C=N\NS(c(cc2)ccc2Br)(=O)=O)cc1 |
| InChI | InChI=1S/C14H10BrN3O2S/c15-13-5-7-14(8-6-13)21(19,20)18-17-10-12-3-1-11(9-16)2-4-12/h1-8,10,18H |
| InChIK | LEXIZUFALMLDCN-UHFFFAOYSA-N |
| TotalMolweight | 364.222 |
| Molweight | 364.222 |
| MonoisotopicMass | 362.967708 |
| CLogP | 2.8379 |
| CLogS | -3.523 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.16 |
| Relative PSA | 0.27339 |
| PolarSurfaceArea | 90.7 |
| Druglikeness | -7.9435 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(4-cyanophenyl)methylideneamino]benzenesulfonamide
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