4-[5-[(E)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
Formula:C18H16N2O6S4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(E)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(E)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C18H16N2O6S4 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)o1)(=O)=O |
| InChI | InChI=1S/C18H16N2O6S4/c19-30(24,25)14-4-1-11(2-5-14)15-6-3-13(26-15)9-16-17(21)20(18(27)28-16)12-7-8-29(22,23)10-12/h1-6,9,12H,7-8,10H2,(H2,19,24,25)/t12-/m1/s1 |
| InChIK | KOTHBZNIJDYYPY-GFCCVEGCSA-N |
| TotalMolweight | 484.597 |
| Molweight | 484.597 |
| MonoisotopicMass | 483.989118 |
| CLogP | 0.4637 |
| CLogS | -5.041 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 318.13 |
| Relative PSA | 0.46717 |
| PolarSurfaceArea | 201.9 |
| Druglikeness | 3.0751 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-[5-[(E)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off