2-ethyl-1-(4-methylphenyl)sulfonylpyrrole

C13H15NO2S — CID 71562080

IUPAC2-ethyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3
InChIKeyHTQMFGBNTNOFDB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.60
Rot. Bonds3

About 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole

2-ethyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 71562080) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2-ethyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID71562080
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2-ethyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCCc1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3
InChIKeyHTQMFGBNTNOFDB-UHFFFAOYSA-N
XLogP2.60
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole (CID 71562080) is 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole is CCc1cccn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is HTQMFGBNTNOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole?
2-ethyl-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 249.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 71562080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).