2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C20H15N3O4ClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H15N3O4ClF3S |
| Smiles | O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H15ClF3N3O4S/c21-18-9-8-14(11-17(18)20(22,23)24)27(32(29,30)16-6-2-1-3-7-16)13-19(28)26-25-12-15-5-4-10-31-15/h1-12H,13H2,(H,26,28) |
| InChIK | NFUBMFCRQIHVOP-UHFFFAOYSA-N |
| TotalMolweight | 485.869 |
| Molweight | 485.869 |
| MonoisotopicMass | 485.042388 |
| CLogP | 3.6938 |
| CLogS | -6.122 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.96 |
| Relative PSA | 0.24629 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | -8.8383 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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