4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C20H15N4O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N4O5BrS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2NS(c(cc2)ccc2Br)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C20H15BrN4O5S/c21-16-5-11-19(12-6-16)31(29,30)24-17-7-3-15(4-8-17)20(26)23-22-13-14-1-9-18(10-2-14)25(27)28/h1-13,24H,(H,23,26) |
| InChIK | QBTBBDYXPDTVSW-UHFFFAOYSA-N |
| TotalMolweight | 503.332 |
| Molweight | 503.332 |
| MonoisotopicMass | 501.994652 |
| CLogP | 3.3043 |
| CLogS | -6.348 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 329.09 |
| Relative PSA | 0.32353 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -5.8741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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 | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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