2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

C15H14FNO2S — CID 863777

IUPAC2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C15H14FNO2S/c16-14-7-3-4-8-15(14)20(18,19)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyXDXLFDWLSVGRAV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.57
Rot. Bonds2

About 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 863777) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID863777
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESO=S(=O)(c1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C15H14FNO2S/c16-14-7-3-4-8-15(14)20(18,19)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKeyXDXLFDWLSVGRAV-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
CID 5226
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
2-[(2,3,5,6-Tetramethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3839722
N-benzyl-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 2813021
2-(3-(1-(Phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4-tetrahydroisoquinoline
CID 11199511
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 11674602
(8aR,12aS,13aS)-12-(4-fluorophenyl)sulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307731
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CID 863777) is 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is O=S(=O)(c1ccccc1F)N1CCc2ccccc2C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XDXLFDWLSVGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-14-7-3-4-8-15(14)20(18,19)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 291.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 863777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).