(E)-N-(1,1-dioxothiolan-3-yl)-2-phenylethenesulfonamide
Formula:C12H15NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,1-dioxothiolan-3-yl)-2-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-N-(1,1-dioxothiolan-3-yl)-2-phenylethenesulfonamide |
| MolecularFormula | C12H15NO4S2 |
| Smiles | O=S(/C=C/c1ccccc1)(NC(CC1)CS1(=O)=O)=O |
| InChI | InChI=1S/C12H15NO4S2/c14-18(15)8-7-12(10-18)13-19(16,17)9-6-11-4-2-1-3-5-11/h1-6,9,12-13H,7-8,10H2/t12-/m1/s1 |
| InChIK | HJZWFMSWPHKQTD-GFCCVEGCSA-N |
| TotalMolweight | 301.386 |
| Molweight | 301.386 |
| MonoisotopicMass | 301.044249 |
| CLogP | 0.6746 |
| CLogS | -3.143 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 208.66 |
| Relative PSA | 0.32886 |
| PolarSurfaceArea | 97.07 |
| Druglikeness | -2.1658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-(1,1-dioxothiolan-3-yl)-2-phenylethenesulfonamide | 2 - (E)-N-(1,1-dioxothiolan-3-yl)-2-phenylethenesulfonamide
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