3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
Formula:C21H14N4O7Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C21H14N4O7Cl2S |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cccc(S(Nc(cc(cc3)Cl)c3Cl)(=O)=O)c2)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C21H14Cl2N4O7S/c22-14-4-5-16(23)17(8-14)26-35(31,32)15-3-1-2-12(6-15)21(28)25-24-10-13-7-19-20(34-11-33-19)9-18(13)27(29)30/h1-10,26H,11H2,(H,25,28) |
| InChIK | ACYZHGAXVVVVBO-UHFFFAOYSA-N |
| TotalMolweight | 537.335 |
| Molweight | 537.335 |
| MonoisotopicMass | 535.996025 |
| CLogP | 3.9025 |
| CLogS | -7.697 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 361.56 |
| Relative PSA | 0.34979 |
| PolarSurfaceArea | 160.29 |
| Druglikeness | -5.051 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide | 2 - 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
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