6-(4-methylsulfonylphenyl)quinoline

C16H13NO2S — CID 72888822

IUPAC6-(4-methylsulfonylphenyl)quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H13NO2S/c1-20(18,19)15-7-4-12(5-8-15)13-6-9-16-14(11-13)3-2-10-17-16/h2-11H,1H3
InChIKeyAMINFLIMHUBWKN-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.31
Rot. Bonds2

About 6-(4-methylsulfonylphenyl)quinoline

6-(4-methylsulfonylphenyl)quinoline (PubChem CID 72888822) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)quinoline.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)quinoline
PubChem CID72888822
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name6-(4-methylsulfonylphenyl)quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C16H13NO2S/c1-20(18,19)15-7-4-12(5-8-15)13-6-9-16-14(11-13)3-2-10-17-16/h2-11H,1H3
InChIKeyAMINFLIMHUBWKN-UHFFFAOYSA-N
XLogP3.31
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)quinoline?
The IUPAC name of 6-(4-methylsulfonylphenyl)quinoline (CID 72888822) is 6-(4-methylsulfonylphenyl)quinoline.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)quinoline?
The canonical SMILES for 6-(4-methylsulfonylphenyl)quinoline is CS(=O)(=O)c1ccc(-c2ccc3ncccc3c2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)quinoline?
The InChIKey is AMINFLIMHUBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-20(18,19)15-7-4-12(5-8-15)13-6-9-16-14(11-13)3-2-10-17-16/h2-11H,1H3.
What are the key properties of 6-(4-methylsulfonylphenyl)quinoline?
6-(4-methylsulfonylphenyl)quinoline has a molecular weight of 283.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)quinoline is sourced from PubChem (CID 72888822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).