(NE)-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Formula:C15H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide |
| MolecularFormula | C15H18N2O3S2 |
| Smiles | O=C(CS1)N(C2CCCCC2)/C1=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H18N2O3S2/c18-14-11-21-15(17(14)12-7-3-1-4-8-12)16-22(19,20)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2 |
| InChIK | XHRCDZNPVIEJKL-UHFFFAOYSA-N |
| TotalMolweight | 338.451 |
| Molweight | 338.451 |
| MonoisotopicMass | 338.075883 |
| CLogP | 2.3872 |
| CLogS | -3.623 |
| H Acceptors | 5 |
| TotalSurfaceArea | 238.41 |
| Relative PSA | 0.3111 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -9.2736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide | 2 - (NE)-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off