2,5-dibromo-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
Formula:C18H12N2O4Br2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,5-dibromo-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide is not a drug-like molecule.
| MolName | 2,5-dibromo-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide |
| MolecularFormula | C18H12N2O4Br2Cl2S2 |
| Smiles | O=C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)N(CCNS(c(cc(cc2)Br)c2Br)(=O)=O)C1=O |
| InChI | InChI=1S/C18H12Br2Cl2N2O4S2/c19-11-2-4-13(20)16(8-11)30(27,28)23-5-6-24-17(25)15(29-18(24)26)7-10-1-3-12(21)9-14(10)22/h1-4,7-9,23H,5-6H2 |
| InChIK | LZFGNPFVSWQQJG-UHFFFAOYSA-N |
| TotalMolweight | 615.149 |
| Molweight | 615.149 |
| MonoisotopicMass | 611.798224 |
| CLogP | 5.0251 |
| CLogS | -6.712 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.18 |
| Relative PSA | 0.25398 |
| PolarSurfaceArea | 117.23 |
| Druglikeness | 4.6832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - 2,5-dibromo-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide | 2 - 2,5-dibromo-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzenesulfonamide
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