2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C21H17N3O3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N3O3BrFS |
| Smiles | O=C(CN(c(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C21H17BrFN3O3S/c22-17-8-12-19(13-9-17)26(30(28,29)20-4-2-1-3-5-20)15-21(27)25-24-14-16-6-10-18(23)11-7-16/h1-14H,15H2,(H,25,27) |
| InChIK | VLGDPFMNIWUTPI-UHFFFAOYSA-N |
| TotalMolweight | 490.352 |
| Molweight | 490.352 |
| MonoisotopicMass | 489.015801 |
| CLogP | 3.8768 |
| CLogS | -6.074 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.37 |
| Relative PSA | 0.21007 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -3.9831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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