1-(3-methylsulfonylphenyl)pyrrole

C11H11NO2S — CID 67689461

IUPAC1-(3-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-5-10(9-11)12-7-2-3-8-12/h2-9H,1H3
InChIKeyKCIUQZSUPHQYCO-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-methylsulfonylphenyl)pyrrole

1-(3-methylsulfonylphenyl)pyrrole (PubChem CID 67689461) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)pyrrole.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)pyrrole
PubChem CID67689461
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(3-methylsulfonylphenyl)pyrrole
SMILESCS(=O)(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-5-10(9-11)12-7-2-3-8-12/h2-9H,1H3
InChIKeyKCIUQZSUPHQYCO-UHFFFAOYSA-N
XLogP1.88
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-pyrrol-1-ylbenzenesulfonamide
CID 118078276
1-(3-pyrrol-1-ylphenyl)pyrrole
CID 91674731
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
CID 75409784
1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
CID 141213908
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
5-methyl-2-(3-methylsulfonylphenyl)pyrazol-3-amine
CID 21455575
2-chloro-3-(3-methylsulfonylphenyl)-1,2-dihydroimidazole
CID 175353696
1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
CID 176872113
5-chloro-3-(3-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462511
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
2-(3-methylsulfonylphenyl)ethanol
CID 68870168

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)pyrrole?
The IUPAC name of 1-(3-methylsulfonylphenyl)pyrrole (CID 67689461) is 1-(3-methylsulfonylphenyl)pyrrole.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)pyrrole?
The canonical SMILES for 1-(3-methylsulfonylphenyl)pyrrole is CS(=O)(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)pyrrole?
The InChIKey is KCIUQZSUPHQYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-15(13,14)11-6-4-5-10(9-11)12-7-2-3-8-12/h2-9H,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)pyrrole?
1-(3-methylsulfonylphenyl)pyrrole has a molecular weight of 221.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)pyrrole is sourced from PubChem (CID 67689461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).