{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide
Basic information
- CAS
5123-09-1- Standard SMILES
O=C(NCCc1ccccc1)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1- InChIKey
AZAIKAXPKPUSDD-UHFFFAOYSA-N- Molecular formula
- C24H23FN2O3S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.14134194
Names & identifiers
- Preferred name
- {2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide
- IUPAC
- 2-(4-fluorophenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Names & synonyms
5123-09-1{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamideST50101691Oprea1_631355Oprea1_744641DTXSID903896742-(4-Fluorobenzene-1-sulfonyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamideAKOS000531244AKOS016088593SR-01000505239SR-01000505239-1
Database identifiers
- CAS
5123-09-1- PubChem CID
- 3136116
- DTXSID
DTXSID90389674
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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