3-(trifluoromethylsulfonyl)quinoline

C10H6F3NO2S — CID 154703150

IUPAC3-(trifluoromethylsulfonyl)quinoline
SMILESO=S(=O)(c1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)17(15,16)8-5-7-3-1-2-4-9(7)14-6-8/h1-6H
InChIKeyGNWCKPDXSSDLME-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.53
Rot. Bonds1

About 3-(trifluoromethylsulfonyl)quinoline

3-(trifluoromethylsulfonyl)quinoline (PubChem CID 154703150) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)quinoline.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)quinoline
PubChem CID154703150
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name3-(trifluoromethylsulfonyl)quinoline
SMILESO=S(=O)(c1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)17(15,16)8-5-7-3-1-2-4-9(7)14-6-8/h1-6H
InChIKeyGNWCKPDXSSDLME-UHFFFAOYSA-N
XLogP2.53
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylsulfonylquinoline
CID 59614790
quinolin-3-ylsulfonylurea
CID 163964326
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
CID 103732344
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
N-quinolin-3-ylhydroxylamine
CID 54286324
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
2-chloro-5-(trifluoromethylsulfonyl)pyrimidine
CID 170914160
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
ethane;trifluoromethylsulfonylbenzene
CID 144556552
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
CID 139034507
fluoro(quinolin-3-yl)methanol
CID 163892772

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)quinoline?
The IUPAC name of 3-(trifluoromethylsulfonyl)quinoline (CID 154703150) is 3-(trifluoromethylsulfonyl)quinoline.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)quinoline?
The canonical SMILES for 3-(trifluoromethylsulfonyl)quinoline is O=S(=O)(c1cnc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)quinoline?
The InChIKey is GNWCKPDXSSDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c11-10(12,13)17(15,16)8-5-7-3-1-2-4-9(7)14-6-8/h1-6H.
What are the key properties of 3-(trifluoromethylsulfonyl)quinoline?
3-(trifluoromethylsulfonyl)quinoline has a molecular weight of 261.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)quinoline is sourced from PubChem (CID 154703150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).