2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C22H17N3O3F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C22H17N3O3F4S |
| Smiles | O=C(CN(c(cccc1)c1F)S(c1ccccc1)(=O)=O)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C22H17F4N3O3S/c23-19-11-4-5-12-20(19)29(33(31,32)18-9-2-1-3-10-18)15-21(30)28-27-14-16-7-6-8-17(13-16)22(24,25)26/h1-14H,15H2,(H,28,30) |
| InChIK | RMNWQAVZIBZRPK-UHFFFAOYSA-N |
| TotalMolweight | 479.453 |
| Molweight | 479.453 |
| MonoisotopicMass | 479.092674 |
| CLogP | 3.9999 |
| CLogS | -6.018 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.2 |
| Relative PSA | 0.20328 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -7.8773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
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