2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole

C13H15NO2S — CID 102326520

IUPAC2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2ccc(C)c2C)cc1
InChIInChI=1S/C13H15NO2S/c1-10-4-6-13(7-5-10)17(15,16)14-9-8-11(2)12(14)3/h4-9H,1-3H3
InChIKeyGMZKPBOFRHRQJT-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.65
Rot. Bonds2

About 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole

2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 102326520) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID102326520
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2ccc(C)c2C)cc1
InChIInChI=1S/C13H15NO2S/c1-10-4-6-13(7-5-10)17(15,16)14-9-8-11(2)12(14)3/h4-9H,1-3H3
InChIKeyGMZKPBOFRHRQJT-UHFFFAOYSA-N
XLogP2.65
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrole
CID 102326547
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3-bromo-1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
CID 15541239
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
CID 162343729
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
CID 12925074
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole (CID 102326520) is 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole is Cc1ccc(S(=O)(=O)n2ccc(C)c2C)cc1.
What is the InChIKey of 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is GMZKPBOFRHRQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10-4-6-13(7-5-10)17(15,16)14-9-8-11(2)12(14)3/h4-9H,1-3H3.
What are the key properties of 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole?
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole has a molecular weight of 249.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 102326520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).