2-methyl-4-methylsulfonylquinoline

C11H11NO2S — CID 4189252

IUPAC2-methyl-4-methylsulfonylquinoline
SMILESCc1cc(S(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C11H11NO2S/c1-8-7-11(15(2,13)14)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3
InChIKeyHKLLMIXHKARFDI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.95
Rot. Bonds1

About 2-methyl-4-methylsulfonylquinoline

2-methyl-4-methylsulfonylquinoline (PubChem CID 4189252) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonylquinoline.

Molecular Properties

Compound Name2-methyl-4-methylsulfonylquinoline
PubChem CID4189252
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-methyl-4-methylsulfonylquinoline
SMILESCc1cc(S(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C11H11NO2S/c1-8-7-11(15(2,13)14)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3
InChIKeyHKLLMIXHKARFDI-UHFFFAOYSA-N
XLogP1.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonylquinoline?
The IUPAC name of 2-methyl-4-methylsulfonylquinoline (CID 4189252) is 2-methyl-4-methylsulfonylquinoline.
What is the SMILES notation for 2-methyl-4-methylsulfonylquinoline?
The canonical SMILES for 2-methyl-4-methylsulfonylquinoline is Cc1cc(S(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-methylsulfonylquinoline?
The InChIKey is HKLLMIXHKARFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-7-11(15(2,13)14)9-5-3-4-6-10(9)12-8/h3-7H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfonylquinoline?
2-methyl-4-methylsulfonylquinoline has a molecular weight of 221.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonylquinoline is sourced from PubChem (CID 4189252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).