2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C22H18N4O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N4O5Cl2S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CN(Cc(cc2)cc(Cl)c2Cl)S(c2ccccc2)(=O)=O)=O)c1)=O |
| InChI | InChI=1S/C22H18Cl2N4O5S/c23-20-10-9-17(12-21(20)24)14-27(34(32,33)19-7-2-1-3-8-19)15-22(29)26-25-13-16-5-4-6-18(11-16)28(30)31/h1-13H,14-15H2,(H,26,29) |
| InChIK | WBZJGPHPGSTJRV-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 | -5.6562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| 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-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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