1-(2,5-dimethylphenyl)sulfonylpyrrole

C12H13NO2S — CID 22200809

IUPAC1-(2,5-dimethylphenyl)sulfonylpyrrole
SMILESCc1ccc(C)c(S(=O)(=O)n2cccc2)c1
InChIInChI=1S/C12H13NO2S/c1-10-5-6-11(2)12(9-10)16(14,15)13-7-3-4-8-13/h3-9H,1-2H3
InChIKeyDUMYOSSRPSEZCN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.34
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfonylpyrrole

1-(2,5-dimethylphenyl)sulfonylpyrrole (PubChem CID 22200809) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonylpyrrole
PubChem CID22200809
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-(2,5-dimethylphenyl)sulfonylpyrrole
SMILESCc1ccc(C)c(S(=O)(=O)n2cccc2)c1
InChIInChI=1S/C12H13NO2S/c1-10-5-6-11(2)12(9-10)16(14,15)13-7-3-4-8-13/h3-9H,1-2H3
InChIKeyDUMYOSSRPSEZCN-UHFFFAOYSA-N
XLogP2.34
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
cesium 2,5-dimethylbenzenesulfonate
CID 100951961
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane
CID 143136694
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonylpyrrole?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonylpyrrole (CID 22200809) is 1-(2,5-dimethylphenyl)sulfonylpyrrole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonylpyrrole?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonylpyrrole is Cc1ccc(C)c(S(=O)(=O)n2cccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonylpyrrole?
The InChIKey is DUMYOSSRPSEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-10-5-6-11(2)12(9-10)16(14,15)13-7-3-4-8-13/h3-9H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonylpyrrole?
1-(2,5-dimethylphenyl)sulfonylpyrrole has a molecular weight of 235.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonylpyrrole is sourced from PubChem (CID 22200809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).