1-(2-fluoro-4-methylsulfonylphenyl)pyrrole

C11H10FNO2S — CID 141213908

IUPAC1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C11H10FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,1H3
InChIKeyNQXHMERQCTUJRU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole

1-(2-fluoro-4-methylsulfonylphenyl)pyrrole (PubChem CID 141213908) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole.

Molecular Properties

Compound Name1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
PubChem CID141213908
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C11H10FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,1H3
InChIKeyNQXHMERQCTUJRU-UHFFFAOYSA-N
XLogP2.02
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole?
The IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole (CID 141213908) is 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole.
What is the SMILES notation for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole?
The canonical SMILES for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole is CS(=O)(=O)c1ccc(-n2cccc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole?
The InChIKey is NQXHMERQCTUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-16(14,15)9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,1H3.
What are the key properties of 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole?
1-(2-fluoro-4-methylsulfonylphenyl)pyrrole has a molecular weight of 239.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylsulfonylphenyl)pyrrole is sourced from PubChem (CID 141213908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).