2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C22H20N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H20N3O3FS |
| Smiles | O=C(CN(Cc1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H20FN3O3S/c23-20-13-11-18(12-14-20)15-24-25-22(27)17-26(16-19-7-3-1-4-8-19)30(28,29)21-9-5-2-6-10-21/h1-15H,16-17H2,(H,25,27) |
| InChIK | HIPKBBCFKYOZLB-UHFFFAOYSA-N |
| TotalMolweight | 425.483 |
| Molweight | 425.483 |
| MonoisotopicMass | 425.12094 |
| CLogP | 3.584 |
| CLogS | -4.259 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.5 |
| Relative PSA | 0.21327 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -1.389 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off