N-[(5E)-5-[(4-bromophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Formula:C16H11N2O3BrS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(5E)-5-[(4-bromophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(5E)-5-[(4-bromophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide |
| MolecularFormula | C16H11N2O3BrS3 |
| Smiles | O=C(N(C1=S)NS(c2ccccc2)(=O)=O)S/C1=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C16H11BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(23)19(16(20)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H |
| InChIK | ISJPZVJEFJTYLR-UHFFFAOYSA-N |
| TotalMolweight | 455.376 |
| Molweight | 455.376 |
| MonoisotopicMass | 453.911514 |
| CLogP | 1.8365 |
| CLogS | -4.299 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.15 |
| Relative PSA | 0.36322 |
| PolarSurfaceArea | 132.25 |
| Druglikeness | -5.7465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(5E)-5-[(4-bromophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide | 2 - N-[(5E)-5-[(4-bromophenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
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