4-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H9N2O2BrF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H9N2O2BrF2S |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c(c(F)ccc1)c1F)=O |
| InChI | InChI=1S/C13H9BrF2N2O2S/c14-9-4-6-10(7-5-9)21(19,20)18-17-8-11-12(15)2-1-3-13(11)16/h1-8,18H |
| InChIK | HKRHSECLYFISKD-UHFFFAOYSA-N |
| TotalMolweight | 375.192 |
| Molweight | 375.192 |
| MonoisotopicMass | 373.953615 |
| CLogP | 3.2039 |
| CLogS | -3.378 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.15 |
| Relative PSA | 0.22496 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -2.3014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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