(NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-2,4-difluorobenzenesulfonamide
Formula:C22H18N2O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-2,4-difluorobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-2,4-difluorobenzenesulfonamide |
| MolecularFormula | C22H18N2O2F2S |
| Smiles | O=S(c(ccc(F)c1)c1F)(/N=C(\c1ccccc1)/N(CC1)Cc2c1cccc2)=O |
| InChI | InChI=1S/C22H18F2N2O2S/c23-19-10-11-21(20(24)14-19)29(27,28)25-22(17-7-2-1-3-8-17)26-13-12-16-6-4-5-9-18(16)15-26/h1-11,14H,12-13,15H2 |
| InChIK | RGKLKJNJAAEHLQ-UHFFFAOYSA-N |
| TotalMolweight | 412.459 |
| Molweight | 412.459 |
| MonoisotopicMass | 412.105704 |
| CLogP | 4.283 |
| CLogS | -4.651 |
| H Acceptors | 4 |
| TotalSurfaceArea | 295.11 |
| Relative PSA | 0.14788 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 2.1152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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