4-bromo-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H6N2O2BrF5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H6N2O2BrF5S |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C13H6BrF5N2O2S/c14-6-1-3-7(4-2-6)24(22,23)21-20-5-8-9(15)11(17)13(19)12(18)10(8)16/h1-5,21H |
| InChIK | RAFMESMPXQPDJC-UHFFFAOYSA-N |
| TotalMolweight | 429.163 |
| Molweight | 429.163 |
| MonoisotopicMass | 427.925349 |
| CLogP | 3.5063 |
| CLogS | -4.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.2 |
| Relative PSA | 0.2077 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -9.2136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide
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