N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide

C15H17F3N2O2S — CID 75372180

IUPACN-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCCN(CCC(F)(F)F)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C15H17F3N2O2S/c1-2-20(10-8-15(16,17)18)23(21,22)11-13-6-3-5-12-7-4-9-19-14(12)13/h3-7,9H,2,8,10-11H2,1H3
InChIKeyAFQRXLUQITWPMS-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide

N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 75372180) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID75372180
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC NameN-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCCN(CCC(F)(F)F)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C15H17F3N2O2S/c1-2-20(10-8-15(16,17)18)23(21,22)11-13-6-3-5-12-7-4-9-19-14(12)13/h3-7,9H,2,8,10-11H2,1H3
InChIKeyAFQRXLUQITWPMS-UHFFFAOYSA-N
XLogP3.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 75433584
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide
CID 86969757
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 107489150
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
ethyl 2-quinolin-8-ylacetate
CID 52562898
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 75372180) is N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is CCN(CCC(F)(F)F)S(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is AFQRXLUQITWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-2-20(10-8-15(16,17)18)23(21,22)11-13-6-3-5-12-7-4-9-19-14(12)13/h3-7,9H,2,8,10-11H2,1H3.
What are the key properties of N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 75372180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).