2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C25H18N3O4Cl2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C25H18N3O4Cl2FS |
| Smiles | O=C(CN(c(cc1)ccc1F)S(c1ccccc1)(=O)=O)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C25H18Cl2FN3O4S/c26-17-6-12-22(23(27)14-17)24-13-11-20(35-24)15-29-30-25(32)16-31(19-9-7-18(28)8-10-19)36(33,34)21-4-2-1-3-5-21/h1-15H,16H2,(H,30,32) |
| InChIK | GXBOYBLHWYYXCL-UHFFFAOYSA-N |
| TotalMolweight | 546.405 |
| Molweight | 546.405 |
| MonoisotopicMass | 545.037909 |
| CLogP | 5.3025 |
| CLogS | -8.172 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 386.03 |
| Relative PSA | 0.21307 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 1.1562 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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