2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C22H17N3O5BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C22H17N3O5BrClS |
| Smiles | O=C(CN(c1cc(Cl)ccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C22H17BrClN3O5S/c23-19-11-21-20(31-14-32-21)9-15(19)12-25-26-22(28)13-27(17-6-4-5-16(24)10-17)33(29,30)18-7-2-1-3-8-18/h1-12H,13-14H2,(H,26,28) |
| InChIK | NLGMZRIVOKASKK-UHFFFAOYSA-N |
| TotalMolweight | 550.816 |
| Molweight | 550.816 |
| MonoisotopicMass | 548.97608 |
| CLogP | 4.4934 |
| CLogS | -7.207 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.7 |
| Relative PSA | 0.24919 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -2.5718 |
| 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 | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
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