3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole

C13H13NO2S — CID 10263998

IUPAC3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESC=Cc1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C13H13NO2S/c1-3-12-8-9-14(10-12)17(15,16)13-6-4-11(2)5-7-13/h3-10H,1H2,2H3
InChIKeyFSVCVGMMPPJMTQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.68
Rot. Bonds3

About 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole

3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 10263998) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID10263998
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESC=Cc1ccn(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C13H13NO2S/c1-3-12-8-9-14(10-12)17(15,16)13-6-4-11(2)5-7-13/h3-10H,1H2,2H3
InChIKeyFSVCVGMMPPJMTQ-UHFFFAOYSA-N
XLogP2.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole (CID 10263998) is 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole is C=Cc1ccn(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is FSVCVGMMPPJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-12-8-9-14(10-12)17(15,16)13-6-4-11(2)5-7-13/h3-10H,1H2,2H3.
What are the key properties of 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole?
3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 247.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 10263998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).