N-[oxo-phenyl-[(E)-2-phenylethenyl]-lambda6-sulfanylidene]benzenesulfonamide
Formula:C20H17NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[oxo-phenyl-[(E)-2-phenylethenyl]-lambda6-sulfanylidene]benzenesulfonamide is a drug-like molecule.
| MolName | N-[oxo-phenyl-[(E)-2-phenylethenyl]-lambda6-sulfanylidene]benzenesulfonamide |
| MolecularFormula | C20H17NO3S2 |
| Smiles | O=S(/C=C/c1ccccc1)(c1ccccc1)=NS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C20H17NO3S2/c22-25(19-12-6-2-7-13-19,17-16-18-10-4-1-5-11-18)21-26(23,24)20-14-8-3-9-15-20/h1-17H/t25-/m0/s1 |
| InChIK | WLYSQCJRGAVTEQ-VWLOTQADSA-N |
| TotalMolweight | 383.491 |
| Molweight | 383.491 |
| MonoisotopicMass | 383.064984 |
| CLogP | 3.6848 |
| CLogS | -3.987 |
| H Acceptors | 4 |
| TotalSurfaceArea | 281.66 |
| Relative PSA | 0.19751 |
| PolarSurfaceArea | 80.33 |
| Druglikeness | -8.3576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon | racemate |
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