2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C22H18N4O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C22H18N4O7S |
| Smiles | [O-][N+](c(cccc1)c1N(CC(N/N=C\c(cc1)cc2c1OCO2)=O)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C22H18N4O7S/c27-22(24-23-13-16-10-11-20-21(12-16)33-15-32-20)14-25(18-8-4-5-9-19(18)26(28)29)34(30,31)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27) |
| InChIK | FBQOZVNGQIPWAL-UHFFFAOYSA-N |
| TotalMolweight | 482.472 |
| Molweight | 482.472 |
| MonoisotopicMass | 482.089621 |
| CLogP | 2.2406 |
| CLogS | -6.097 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 343.32 |
| Relative PSA | 0.34533 |
| PolarSurfaceArea | 151.5 |
| Druglikeness | -7.7739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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