(NE)-4-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Formula:C21H15N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-4-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide |
| MolecularFormula | C21H15N2O3ClS2 |
| Smiles | O=C(C(c1ccccc1)S/C1=N/S(c(cc2)ccc2Cl)(=O)=O)N1c1ccccc1 |
| InChI | InChI=1S/C21H15ClN2O3S2/c22-16-11-13-18(14-12-16)29(26,27)23-21-24(17-9-5-2-6-10-17)20(25)19(28-21)15-7-3-1-4-8-15/h1-14,19H/t19-/m0/s1 |
| InChIK | ADOPIQMSCCFUHR-IBGZPJMESA-N |
| TotalMolweight | 442.946 |
| Molweight | 442.946 |
| MonoisotopicMass | 442.02126 |
| CLogP | 5.3171 |
| CLogS | -5.756 |
| H Acceptors | 5 |
| TotalSurfaceArea | 304.29 |
| Relative PSA | 0.24375 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | 7.4314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NE)-4-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide | 2 - (NE)-4-chloro-N-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off