(NE)-5-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
Formula:C19H13N2O3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-5-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is not a drug-like molecule.
| MolName | (NE)-5-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide |
| MolecularFormula | C19H13N2O3ClS3 |
| Smiles | O=C(C(c1ccccc1)S/C1=N/S(c(s2)ccc2Cl)(=O)=O)N1c1ccccc1 |
| InChI | InChI=1S/C19H13ClN2O3S3/c20-15-11-12-16(26-15)28(24,25)21-19-22(14-9-5-2-6-10-14)18(23)17(27-19)13-7-3-1-4-8-13/h1-12,17H/t17-/m0/s1 |
| InChIK | LEOBYIULMSNOHQ-KRWDZBQOSA-N |
| TotalMolweight | 448.974 |
| Molweight | 448.974 |
| MonoisotopicMass | 447.97768 |
| CLogP | 5.5109 |
| CLogS | -5.69 |
| H Acceptors | 5 |
| TotalSurfaceArea | 300.23 |
| Relative PSA | 0.31486 |
| PolarSurfaceArea | 128.73 |
| Druglikeness | 6.5568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (NE)-5-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide | 2 - (NE)-5-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
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