1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C17H19FN2O2S — CID 110288949

IUPAC1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-19(2)23(21,22)20-12-11-13-7-3-4-8-14(13)17(20)15-9-5-6-10-16(15)18/h3-10,17H,11-12H2,1-2H3
InChIKeySSUFJQRWDNLBFP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.58
Rot. Bonds3

About 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 110288949) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID110288949
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2ccccc2C1c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-19(2)23(21,22)20-12-11-13-7-3-4-8-14(13)17(20)15-9-5-6-10-16(15)18/h3-10,17H,11-12H2,1-2H3
InChIKeySSUFJQRWDNLBFP-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92762278
[(1S)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methylphenyl)methanone
CID 92767557
2-ethylsulfonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 110661445
(4-chlorophenyl)-[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095397
(2S)-1-[(1S)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylbutan-1-one
CID 92768196
[(1S)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-phenylphenyl)methanone
CID 92773135
(1S)-1-benzyl-N-ethyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 97102375
[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 42691566
N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628085
1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628137
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 110288949) is 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(C)S(=O)(=O)N1CCc2ccccc2C1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is SSUFJQRWDNLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-19(2)23(21,22)20-12-11-13-7-3-4-8-14(13)17(20)15-9-5-6-10-16(15)18/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 110288949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).