N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H7N2O2F5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H7N2O2F5S |
| Smiles | O=S(c1ccccc1)(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C13H7F5N2O2S/c14-9-8(10(15)12(17)13(18)11(9)16)6-19-20-23(21,22)7-4-2-1-3-5-7/h1-6,20H |
| InChIK | KVJFNHOLOQAENI-UHFFFAOYSA-N |
| TotalMolweight | 350.267 |
| Molweight | 350.267 |
| MonoisotopicMass | 350.014838 |
| CLogP | 2.7811 |
| CLogS | -3.486 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.57 |
| Relative PSA | 0.22455 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -14.96 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off