(NE)-N-(3-benzyl-1,1-dioxo-1,3-thiazolidin-2-ylidene)-4-chlorobenzenesulfonamide
Formula:C16H15N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3-benzyl-1,1-dioxo-1,3-thiazolidin-2-ylidene)-4-chlorobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(3-benzyl-1,1-dioxo-1,3-thiazolidin-2-ylidene)-4-chlorobenzenesulfonamide |
| MolecularFormula | C16H15N2O4ClS2 |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\N(Cc1ccccc1)CC1)/S1(=O)=O)=O |
| InChI | InChI=1S/C16H15ClN2O4S2/c17-14-6-8-15(9-7-14)25(22,23)18-16-19(10-11-24(16,20)21)12-13-4-2-1-3-5-13/h1-9H,10-12H2 |
| InChIK | CYKAECQSHRIKEK-UHFFFAOYSA-N |
| TotalMolweight | 398.89 |
| Molweight | 398.89 |
| MonoisotopicMass | 398.016175 |
| CLogP | 2.3289 |
| CLogS | -3.569 |
| H Acceptors | 6 |
| TotalSurfaceArea | 266.65 |
| Relative PSA | 0.27084 |
| PolarSurfaceArea | 100.64 |
| Druglikeness | 1.7037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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