2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
Formula:C21H15N3O3Cl3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H15N3O3Cl3FS |
| Smiles | O=C(CN(c1cccc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H15Cl3FN3O3S/c22-16-8-4-10-18(25)15(16)12-26-27-20(29)13-28(19-11-5-9-17(23)21(19)24)32(30,31)14-6-2-1-3-7-14/h1-12H,13H2,(H,27,29) |
| InChIK | ISUALFMZGLCLKR-UHFFFAOYSA-N |
| TotalMolweight | 514.791 |
| Molweight | 514.791 |
| MonoisotopicMass | 512.988371 |
| CLogP | 4.9696 |
| CLogS | -7.448 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352 |
| Relative PSA | 0.19358 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.1988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
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