| MolName | 4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide |
| MolecularFormula | C15H13N2O2BrS |
| Smiles | NS(c(cc1)ccc1/N=C/C(/Br)=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H13BrN2O2S/c16-13(10-12-4-2-1-3-5-12)11-18-14-6-8-15(9-7-14)21(17,19)20/h1-11H,(H2,17,19,20) |
| InChIK | DYWNFRRMDYRBBD-UHFFFAOYSA-N |
| TotalMolweight | 365.25 |
| Molweight | 365.25 |
| MonoisotopicMass | 363.988109 |
| CLogP | 2.4083 |
| CLogS | -4.182 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.22 |
| Relative PSA | 0.23239 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -5.8001 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
| Amides | 1 |
| StereoCon |
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1 - 4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide | 2 - 4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide