(NZ)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]benzenesulfonamide
Formula:C22H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]benzenesulfonamide |
| MolecularFormula | C22H20N2O2S |
| Smiles | O=S(c1ccccc1)(/N=C(/c1ccccc1)\N(CC1)Cc2c1cccc2)=O |
| InChI | InChI=1S/C22H20N2O2S/c25-27(26,21-13-5-2-6-14-21)23-22(19-10-3-1-4-11-19)24-16-15-18-9-7-8-12-20(18)17-24/h1-14H,15-17H2 |
| InChIK | FKJWDKCLBQLOIE-UHFFFAOYSA-N |
| TotalMolweight | 376.479 |
| Molweight | 376.479 |
| MonoisotopicMass | 376.124548 |
| CLogP | 4.0814 |
| CLogS | -4.023 |
| H Acceptors | 4 |
| TotalSurfaceArea | 282.41 |
| Relative PSA | 0.15453 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | -3.5689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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