1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide

C21H27FN2O2S — CID 16837763

IUPAC1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H27FN2O2S/c1-2-13-24-14-3-4-19-15-17(7-10-21(19)24)11-12-23-27(25,26)16-18-5-8-20(22)9-6-18/h5-10,15,23H,2-4,11-14,16H2,1H3
InChIKeyGBCDGFDSNGXXFZ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.65
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide (PubChem CID 16837763) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
PubChem CID16837763
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC Name1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H27FN2O2S/c1-2-13-24-14-3-4-19-15-17(7-10-21(19)24)11-12-23-27(25,26)16-18-5-8-20(22)9-6-18/h5-10,15,23H,2-4,11-14,16H2,1H3
InChIKeyGBCDGFDSNGXXFZ-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-fluorophenyl)-2,2-dioxido-1,4-dihydro-3H-2,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 24822173
3-[1-(3-fluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25029544
3-[1-(4-fluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25029788
N-methyl-3-[1-(4-methylphenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]propan-1-amine
CID 25029789
3-[1-(3,4-difluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25029791
2-[1-(2-fluorophenyl)-2,2-dioxido-1,4-dihydro-3H-2,1,3-benzothiadiazin-3-yl]-N-methylethanamine
CID 25029792
4-[1-(2-fluorophenyl)-2,2-dioxido-1,4-dihydro-3H-2,1,3-benzothiadiazin-3-yl]-N-methylbutan-1-amine
CID 25030029
3-[6-fluoro-1-(2-fluorophenyl)-2,2-dioxido-1,4-dihydro-3H-2,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25030033
4-[6-fluoro-1-(2-fluorophenyl)-2,2-dioxido-1,4-dihydro-3H-2,1,3-benzothiadiazin-3-yl]-N-methylbutan-1-amine
CID 25030035
3-(2,2-dioxo-1-phenyl-3,4-dihydro-2lambda6,1-benzothiazin-3-yl)-N-methylpropan-1-amine
CID 25109015
3-[1-(2-fluorophenyl)-2,2-dioxido-3,4-dihydro-1H-2,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 25109439
3-[6-fluoro-1-(2-fluorophenyl)-2,2-dioxido-3,4-dihydro-1H-2,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 25109441

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide (CID 16837763) is 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
The InChIKey is GBCDGFDSNGXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-2-13-24-14-3-4-19-15-17(7-10-21(19)24)11-12-23-27(25,26)16-18-5-8-20(22)9-6-18/h5-10,15,23H,2-4,11-14,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide has a molecular weight of 390.52 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 16837763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).