2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C22H18N4O5Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N4O5Cl2S |
| Smiles | [O-][N+](c1c(/C=N\NC(CN(Cc2ccccc2)S(c(cc(cc2)Cl)c2Cl)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C22H18Cl2N4O5S/c23-18-10-11-19(24)21(12-18)34(32,33)27(14-16-6-2-1-3-7-16)15-22(29)26-25-13-17-8-4-5-9-20(17)28(30)31/h1-13H,14-15H2,(H,26,29) |
| InChIK | KGDOKPXYBRSMHT-UHFFFAOYSA-N |
| TotalMolweight | 521.38 |
| Molweight | 521.38 |
| MonoisotopicMass | 520.037495 |
| CLogP | 3.7736 |
| CLogS | -5.877 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 367.66 |
| Relative PSA | 0.26807 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -0.18712 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
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