Basic information
- CAS
39191-70-3- Standard SMILES
CN(N1Cc2ccccc2CC1=O)S(=O)(=O)c1ccccc1- InChIKey
WCCDYGDLNHGPLT-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.08816355
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-methyl-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-
- IUPAC
- N-methyl-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzenesulfonamide
Names & synonyms
39191-70-3Benzenesulfonamide, N-methyl-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)-RefChem:1078694BRN 1548898n-methyl-n-(3-oxo-3,4-dihydroisoquinolin-2(1h)-yl)benzenesulfonamideN-Methyl-N-(3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzenesulfonamideDTXSID90959972Benzenesulfonamide, N-(3,4-dihydro-3-oxo-2(1H)-isoquinolinyl)-N-methyl-
Database identifiers
- CAS
39191-70-3- PubChem CID
- 217672
- DTXSID
DTXSID90959972
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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