2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: VU0512808-1|AS-871/43302833|2-(3,4-dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline|2-((3,4-dimethyl-5-nitrophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline|F3179-0382|2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline|1,2-dimethyl-3-nitro-5-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzene|2-({3-nitro-4,5-dimethylphenyl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline|2-[(3,4-dimethyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.09872 g/mol |
| LogP | 2.95864 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.09872 |
| Monoisotopic Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 922.1829 |
Chemical Identifiers
| CAS Number | 853902-85-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
2-(3,4-Dimethyl-5-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 853902-85-9), with molecular formula C17H18N2O4S and molecular weight 346.09872 g/mol. IUPAC: 2-(3,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.