2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C23H19N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C23H19N3O5Cl2S |
| Smiles | O=C(CN(Cc(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H19Cl2N3O5S/c24-19-8-6-17(10-20(19)25)13-28(34(30,31)18-4-2-1-3-5-18)14-23(29)27-26-12-16-7-9-21-22(11-16)33-15-32-21/h1-12H,13-15H2,(H,27,29) |
| InChIK | SBUMWQVBXLOBSJ-UHFFFAOYSA-N |
| TotalMolweight | 520.392 |
| Molweight | 520.392 |
| MonoisotopicMass | 519.042246 |
| CLogP | 4.8066 |
| CLogS | -6.128 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 364.25 |
| Relative PSA | 0.24198 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.70758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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