4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
Formula:C14H10N2O4S3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C14H10N2O4S3 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C(/C(N2)=S)\SC2=O)o1)(=O)=O |
| InChI | InChI=1S/C14H10N2O4S3/c15-23(18,19)10-4-1-8(2-5-10)11-6-3-9(20-11)7-12-13(21)16-14(17)22-12/h1-7H,(H2,15,18,19)(H,16,17,21) |
| InChIK | RNDDKVGVMHHZKU-UHFFFAOYSA-N |
| TotalMolweight | 366.441 |
| Molweight | 366.441 |
| MonoisotopicMass | 365.980268 |
| CLogP | 1.4117 |
| CLogS | -5.445 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 250.43 |
| Relative PSA | 0.51092 |
| PolarSurfaceArea | 168.17 |
| Druglikeness | 4.6481 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
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