Benzenesulfonamide, N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-
Basic information
- CAS
39113-20-7- Standard SMILES
O=C1Cc2ccccc2CN1NS(=O)(=O)c1ccccc1- InChIKey
MGTIXBQHJANZSC-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.07251349
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-
- IUPAC
- N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzenesulfonamide
Names & synonyms
39113-20-7Benzenesulfonamide, N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-RefChem:1078690BRN 1495024n-(3-oxo-3,4-dihydroisoquinolin-2(1h)-yl)benzenesulfonamideN-(3-Oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzenesulfonamideDTXSID00959923Benzenesulfonamide, N-(3,4-dihydro-3-oxo-2(1H)-isoquinolinyl)-
Database identifiers
- CAS
39113-20-7- PubChem CID
- 217644
- DTXSID
DTXSID00959923
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…