2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C21H17N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N3O3ClFS |
| Smiles | O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H17ClFN3O3S/c22-17-5-4-6-19(13-17)26(30(28,29)20-7-2-1-3-8-20)15-21(27)25-24-14-16-9-11-18(23)12-10-16/h1-14H,15H2,(H,25,27) |
| InChIK | WPGQJRDPDMMLHE-UHFFFAOYSA-N |
| TotalMolweight | 445.901 |
| Molweight | 445.901 |
| MonoisotopicMass | 445.066317 |
| CLogP | 3.7576 |
| CLogS | -5.976 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.16 |
| Relative PSA | 0.21217 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -1.7192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off