2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C21H17N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N4O5ClS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(c2cccc(Cl)c2)S(c2ccccc2)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C21H17ClN4O5S/c22-17-5-4-6-19(13-17)25(32(30,31)20-7-2-1-3-8-20)15-21(27)24-23-14-16-9-11-18(12-10-16)26(28)29/h1-14H,15H2,(H,24,27) |
| InChIK | ASDFFQOMHALHAL-UHFFFAOYSA-N |
| TotalMolweight | 472.908 |
| Molweight | 472.908 |
| MonoisotopicMass | 472.060818 |
| CLogP | 2.7352 |
| CLogS | -6.122 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 338.48 |
| Relative PSA | 0.29118 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -10.966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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