2-benzylsulfonylquinoline

C16H13NO2S — CID 134095995

IUPAC2-benzylsulfonylquinoline
SMILESO=S(=O)(Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H13NO2S/c18-20(19,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChIKeyFOQJFFPJPITCHV-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.21
Rot. Bonds3

About 2-benzylsulfonylquinoline

2-benzylsulfonylquinoline (PubChem CID 134095995) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-benzylsulfonylquinoline.

Molecular Properties

Compound Name2-benzylsulfonylquinoline
PubChem CID134095995
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-benzylsulfonylquinoline
SMILESO=S(=O)(Cc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H13NO2S/c18-20(19,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChIKeyFOQJFFPJPITCHV-UHFFFAOYSA-N
XLogP3.21
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentylsulfonylquinoline
CID 174165146
2-sulfosulfonylquinoline
CID 175503554
quinolin-2-ylmethanesulfonamide
CID 43164320
2-(methylsulfonylmethyl)quinoline
CID 14901365
2-(trichloromethylsulfonyl)quinoline
CID 20582659
2-[dibromo(chloro)methyl]sulfonylquinoline
CID 139808681
dimethyl-quinolin-2-yl-sulfanyl-λ4-sulfane
CID 123616548
2-(4-chlorophenyl)sulfonylquinoline
CID 122229120
2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide
CID 75442343
3-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-5,5-dipropyloxolane-2,4-dione
CID 54141383
3-benzylsulfonyl-2H-indazole
CID 67466166
3-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-4-hydroxy-5,5-dipropylfuran-2-one
CID 54714425

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylquinoline?
The IUPAC name of 2-benzylsulfonylquinoline (CID 134095995) is 2-benzylsulfonylquinoline.
What is the SMILES notation for 2-benzylsulfonylquinoline?
The canonical SMILES for 2-benzylsulfonylquinoline is O=S(=O)(Cc1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 2-benzylsulfonylquinoline?
The InChIKey is FOQJFFPJPITCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-20(19,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2.
What are the key properties of 2-benzylsulfonylquinoline?
2-benzylsulfonylquinoline has a molecular weight of 283.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylquinoline is sourced from PubChem (CID 134095995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).