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

C12H13NO2S — CID 839845

IUPAC2-methyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cccc2C)cc1
InChIInChI=1S/C12H13NO2S/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2/h3-9H,1-2H3
InChIKeyRZQZEMIQAVHLLB-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.34
Rot. Bonds2

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

2-methyl-1-(4-methylphenyl)sulfonylpyrrole (PubChem CID 839845) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonylpyrrole
PubChem CID839845
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2cccc2C)cc1
InChIInChI=1S/C12H13NO2S/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2/h3-9H,1-2H3
InChIKeyRZQZEMIQAVHLLB-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

2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102520229
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]sulfanylacetic acid
CID 13167607
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-(3-bromopropylsulfanyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 13167603
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
1-ethylsulfonyl-2-methylpyrrole
CID 145446296
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonylpyrrole (CID 839845) is 2-methyl-1-(4-methylphenyl)sulfonylpyrrole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonylpyrrole is Cc1ccc(S(=O)(=O)n2cccc2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonylpyrrole?
The InChIKey is RZQZEMIQAVHLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2/h3-9H,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonylpyrrole?
2-methyl-1-(4-methylphenyl)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 2-methyl-1-(4-methylphenyl)sulfonylpyrrole is sourced from PubChem (CID 839845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).