3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
Formula:C20H15N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N4O5ClS |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cccc(S(Nc(cc3)ccc3Cl)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C20H15ClN4O5S/c21-16-8-10-17(11-9-16)24-31(29,30)18-6-3-5-14(12-18)20(26)23-22-13-15-4-1-2-7-19(15)25(27)28/h1-13,24H,(H,23,26) |
| InChIK | FFPMFQUUFHLYCF-UHFFFAOYSA-N |
| TotalMolweight | 458.881 |
| Molweight | 458.881 |
| MonoisotopicMass | 458.045168 |
| CLogP | 3.1851 |
| CLogS | -6.25 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 325.88 |
| Relative PSA | 0.32672 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -5.5312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
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