2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C22H18N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C22H18N3O5ClS |
| Smiles | O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H18ClN3O5S/c23-17-5-4-6-18(12-17)26(32(28,29)19-7-2-1-3-8-19)14-22(27)25-24-13-16-9-10-20-21(11-16)31-15-30-20/h1-13H,14-15H2,(H,25,27) |
| InChIK | PTVDCMWHJJELRX-UHFFFAOYSA-N |
| TotalMolweight | 471.92 |
| Molweight | 471.92 |
| MonoisotopicMass | 471.065569 |
| CLogP | 3.7682 |
| CLogS | -6.373 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 335.07 |
| Relative PSA | 0.26305 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.80187 |
| 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 | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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