2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole

C15H19NO2S — CID 22200891

IUPAC2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1
InChIInChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3
InChIKeyAFZWZVLPIMHLSE-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.27
Rot. Bonds2

About 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole

2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole (PubChem CID 22200891) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole
PubChem CID22200891
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1
InChIInChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3
InChIKeyAFZWZVLPIMHLSE-UHFFFAOYSA-N
XLogP3.27
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole?
The IUPAC name of 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole (CID 22200891) is 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole?
The canonical SMILES for 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole is Cc1cc(C)c(S(=O)(=O)n2cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole?
The InChIKey is AFZWZVLPIMHLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3.
What are the key properties of 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole?
2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole has a molecular weight of 277.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole is sourced from PubChem (CID 22200891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).