N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C17H13N2O3FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H13N2O3FS |
| Smiles | O=S(c1ccccc1)(N/N=C\c1ccc(-c(cc2)ccc2F)o1)=O |
| InChI | InChI=1S/C17H13FN2O3S/c18-14-8-6-13(7-9-14)17-11-10-15(23-17)12-19-20-24(21,22)16-4-2-1-3-5-16/h1-12,20H |
| InChIK | ALBSQQHZKFMHRM-UHFFFAOYSA-N |
| TotalMolweight | 344.365 |
| Molweight | 344.365 |
| MonoisotopicMass | 344.063091 |
| CLogP | 3.3168 |
| CLogS | -3.69 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.62 |
| Relative PSA | 0.25889 |
| PolarSurfaceArea | 80.05 |
| Druglikeness | -3.4754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off