N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
Formula:C20H16N2O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H16N2O3ClFS |
| Smiles | O=S(c1ccccc1)(N/N=C\c(cc1)ccc1OCc(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C20H16ClFN2O3S/c21-19-7-4-8-20(22)18(19)14-27-16-11-9-15(10-12-16)13-23-24-28(25,26)17-5-2-1-3-6-17/h1-13,24H,14H2 |
| InChIK | DHSRGGRZFONJIB-UHFFFAOYSA-N |
| TotalMolweight | 418.875 |
| Molweight | 418.875 |
| MonoisotopicMass | 418.055418 |
| CLogP | 4.332 |
| CLogS | -4.307 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.11 |
| Relative PSA | 0.20306 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -5.4062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| 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 |
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