N-(4-bromophenyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamide
Basic information
- CAS
5522-69-0- Standard SMILES
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1- InChIKey
LYGMCUXDSCMQOU-UHFFFAOYSA-N- Molecular formula
- C23H21BrN2O3S
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 484.04563
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamide
- IUPAC
- N-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
Names & synonyms
5522-69-0N-(4-bromophenyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamideN-(4-bromophenyl)-N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)benzenesulfonamideZINC00835626CBMicro_022274Oprea1_420958Oprea1_627832SCHEMBL3399208DTXSID70360380CCG-9700STK360643AKOS000596629
Show more names
N-(4-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamideBIM-0022362.P001N-(4-bromophenyl)-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]benzenesulfonamide
Database identifiers
- CAS
5522-69-0- PubChem CID
- 1106397
- DTXSID
DTXSID70360380
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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