2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C23H17N3O3F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H17N3O3F6S |
| Smiles | O=C(CN(c1cc(C(F)(F)F)ccc1)S(c1ccccc1)(=O)=O)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H17F6N3O3S/c24-22(25,26)17-7-4-6-16(12-17)14-30-31-21(33)15-32(36(34,35)20-10-2-1-3-11-20)19-9-5-8-18(13-19)23(27,28)29/h1-14H,15H2,(H,31,33) |
| InChIK | JJHWPHNDNVHKAR-UHFFFAOYSA-N |
| TotalMolweight | 529.46 |
| Molweight | 529.46 |
| MonoisotopicMass | 529.08948 |
| CLogP | 4.7474 |
| CLogS | -6.482 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 358.31 |
| Relative PSA | 0.19017 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -7.6271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off