1-(4-methylsulfonylphenyl)pyrrole

C11H11NO2S — CID 22316981

IUPAC1-(4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3
InChIKeyNIVLUABJSRHBFE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)pyrrole

1-(4-methylsulfonylphenyl)pyrrole (PubChem CID 22316981) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)pyrrole
PubChem CID22316981
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(4-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3
InChIKeyNIVLUABJSRHBFE-UHFFFAOYSA-N
XLogP1.88
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)pyrrole?
The IUPAC name of 1-(4-methylsulfonylphenyl)pyrrole (CID 22316981) is 1-(4-methylsulfonylphenyl)pyrrole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)pyrrole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)pyrrole is CS(=O)(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)pyrrole?
The InChIKey is NIVLUABJSRHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)pyrrole?
1-(4-methylsulfonylphenyl)pyrrole has a molecular weight of 221.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)pyrrole is sourced from PubChem (CID 22316981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).