4-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H10N2O2BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H10N2O2BrFS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C13H10BrFN2O2S/c14-11-3-7-13(8-4-11)20(18,19)17-16-9-10-1-5-12(15)6-2-10/h1-9,17H |
| InChIK | BXRFQKUADJPXAS-UHFFFAOYSA-N |
| TotalMolweight | 357.202 |
| Molweight | 357.202 |
| MonoisotopicMass | 355.963037 |
| CLogP | 3.1031 |
| CLogS | -3.064 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.23137 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -0.25918 |
| 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 | 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-fluorophenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenesulfonamide
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