4-(benzenesulfonamido)-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide
Formula:C20H15N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzenesulfonamido)-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(benzenesulfonamido)-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N4O5ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(c(cc1)ccc1NS(c1ccccc1)(=O)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H15ClN4O5S/c21-18-11-6-14(12-19(18)25(27)28)13-22-23-20(26)15-7-9-16(10-8-15)24-31(29,30)17-4-2-1-3-5-17/h1-13,24H,(H,23,26) |
| InChIK | QKDHIRUSDRBVOM-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 | -8.6422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| 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 | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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