2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
Formula:C22H18N3O3BrCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N3O3BrCl2S |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc(cc1)Cl)c1Cl)(=O)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C22H18BrCl2N3O3S/c23-18-8-4-7-17(11-18)13-26-27-22(29)15-28(14-16-5-2-1-3-6-16)32(30,31)21-12-19(24)9-10-20(21)25/h1-13H,14-15H2,(H,27,29) |
| InChIK | ZFCPXJQRNWUSQZ-UHFFFAOYSA-N |
| TotalMolweight | 555.279 |
| Molweight | 555.279 |
| MonoisotopicMass | 552.962927 |
| CLogP | 5.4204 |
| CLogS | -6.251 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.62 |
| Relative PSA | 0.18791 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 3.6674 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide | 2 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
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