2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
Formula:C24H18N4O4ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H18N4O4ClF3S |
| Smiles | N#CCOc1ccc(/C=N\NC(CN(c(cc2)cc(C(F)(F)F)c2Cl)S(c2ccccc2)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C24H18ClF3N4O4S/c25-22-11-8-18(14-21(22)24(26,27)28)32(37(34,35)20-4-2-1-3-5-20)16-23(33)31-30-15-17-6-9-19(10-7-17)36-13-12-29/h1-11,14-15H,13,16H2,(H,31,33) |
| InChIK | FQDCEEJCNJRXSQ-UHFFFAOYSA-N |
| TotalMolweight | 550.944 |
| Molweight | 550.944 |
| MonoisotopicMass | 550.068937 |
| CLogP | 4.087 |
| CLogS | -6.906 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 389.74 |
| Relative PSA | 0.23529 |
| PolarSurfaceArea | 120.24 |
| Druglikeness | -12.586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
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