(NE)-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
Formula:C13H10N2O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NE)-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide |
| MolecularFormula | C13H10N2O3S3 |
| Smiles | O=C(CS/C1=N/S(c2cccs2)(=O)=O)N1c1ccccc1 |
| InChI | InChI=1S/C13H10N2O3S3/c16-11-9-20-13(15(11)10-5-2-1-3-6-10)14-21(17,18)12-7-4-8-19-12/h1-8H,9H2 |
| InChIK | MYTSLQIBXCKOQB-UHFFFAOYSA-N |
| TotalMolweight | 338.431 |
| Molweight | 338.431 |
| MonoisotopicMass | 337.985353 |
| CLogP | 2.3158 |
| CLogS | -3.811 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.31 |
| Relative PSA | 0.4177 |
| PolarSurfaceArea | 128.73 |
| Druglikeness | 4.0165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (NE)-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide | 2 - (NE)-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
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