2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C21H16N3O3BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H16N3O3BrCl2S |
| Smiles | O=C(CN(c(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H16BrCl2N3O3S/c22-16-7-9-17(10-8-16)27(31(29,30)18-4-2-1-3-5-18)14-21(28)26-25-13-15-6-11-19(23)20(24)12-15/h1-13H,14H2,(H,26,28) |
| InChIK | VQRJPCKFJISJSR-UHFFFAOYSA-N |
| TotalMolweight | 541.252 |
| Molweight | 541.252 |
| MonoisotopicMass | 538.947277 |
| CLogP | 4.988 |
| CLogS | -7.232 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.86 |
| Relative PSA | 0.19532 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.7683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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