2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C22H20N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H20N3O4BrS |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(cc(cc1)OCc2ccccc2)c1Br |
| InChI | InChI=1S/C22H20BrN3O4S/c23-21-12-11-19(30-16-17-7-3-1-4-8-17)13-18(21)14-24-26-22(27)15-25-31(28,29)20-9-5-2-6-10-20/h1-14,25H,15-16H2,(H,26,27) |
| InChIK | NDJNTDAQACZJET-UHFFFAOYSA-N |
| TotalMolweight | 502.388 |
| Molweight | 502.388 |
| MonoisotopicMass | 501.035788 |
| CLogP | 4.0452 |
| CLogS | -5.211 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 342.94 |
| Relative PSA | 0.25092 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -8.4781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]acetamide
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