3-(2-methylsulfonylphenyl)furan

C11H10O3S — CID 173345418

IUPAC3-(2-methylsulfonylphenyl)furan
SMILESCS(=O)(=O)c1ccccc1-c1ccoc1
InChIInChI=1S/C11H10O3S/c1-15(12,13)11-5-3-2-4-10(11)9-6-7-14-8-9/h2-8H,1H3
InChIKeyUMJLAOJAZKYTJN-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.35
Rot. Bonds2

About 3-(2-methylsulfonylphenyl)furan

3-(2-methylsulfonylphenyl)furan (PubChem CID 173345418) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(2-methylsulfonylphenyl)furan.

Molecular Properties

Compound Name3-(2-methylsulfonylphenyl)furan
PubChem CID173345418
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name3-(2-methylsulfonylphenyl)furan
SMILESCS(=O)(=O)c1ccccc1-c1ccoc1
InChIInChI=1S/C11H10O3S/c1-15(12,13)11-5-3-2-4-10(11)9-6-7-14-8-9/h2-8H,1H3
InChIKeyUMJLAOJAZKYTJN-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylphenyl)furan?
The IUPAC name of 3-(2-methylsulfonylphenyl)furan (CID 173345418) is 3-(2-methylsulfonylphenyl)furan.
What is the SMILES notation for 3-(2-methylsulfonylphenyl)furan?
The canonical SMILES for 3-(2-methylsulfonylphenyl)furan is CS(=O)(=O)c1ccccc1-c1ccoc1.
What is the InChIKey of 3-(2-methylsulfonylphenyl)furan?
The InChIKey is UMJLAOJAZKYTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-15(12,13)11-5-3-2-4-10(11)9-6-7-14-8-9/h2-8H,1H3.
What are the key properties of 3-(2-methylsulfonylphenyl)furan?
3-(2-methylsulfonylphenyl)furan has a molecular weight of 222.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylphenyl)furan is sourced from PubChem (CID 173345418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).