1-(4-methylphenyl)sulfonylpyrrole

C11H11NO2S — CID 640087

IUPAC1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cccc2)cc1
InChIInChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKeyOXWIEWFMRVJGNY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.03
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpyrrole

1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 640087) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpyrrole
PubChem CID640087
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cccc2)cc1
InChIInChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3
InChIKeyOXWIEWFMRVJGNY-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 1-(4-methylphenyl)sulfonylpyrrole (CID 640087) is 1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpyrrole is Cc1ccc(S(=O)(=O)n2cccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is OXWIEWFMRVJGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpyrrole?
1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 221.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 640087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).