N-[(Z)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Formula:C20H16N2O3BrFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H16N2O3BrFS |
| Smiles | O=S(c1ccccc1)(N/N=C\c(cc(cc1)Br)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C20H16BrFN2O3S/c21-17-8-11-20(27-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-28(25,26)19-4-2-1-3-5-19/h1-13,24H,14H2 |
| InChIK | PSBOYXJULDMUOW-UHFFFAOYSA-N |
| TotalMolweight | 463.326 |
| Molweight | 463.326 |
| MonoisotopicMass | 462.004902 |
| CLogP | 4.4512 |
| CLogS | -4.405 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.32 |
| Relative PSA | 0.20093 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -7.4358 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide | 2 - N-[(Z)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off