2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine

C16H14N2O2S — CID 21221511

IUPAC2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cccc2-c2ccccn2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)14-9-7-13(8-10-14)18-12-4-6-16(18)15-5-2-3-11-17-15/h2-12H,1H3
InChIKeyQIUQDZGIVIMAHF-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.94
Rot. Bonds3

About 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine

2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine (PubChem CID 21221511) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine
PubChem CID21221511
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2cccc2-c2ccccn2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)14-9-7-13(8-10-14)18-12-4-6-16(18)15-5-2-3-11-17-15/h2-12H,1H3
InChIKeyQIUQDZGIVIMAHF-UHFFFAOYSA-N
XLogP2.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrrole
CID 54105275
2-methylsulfonyl-5-(5-pyridin-2-ylimidazol-1-yl)pyridine
CID 172855995
2-(4-methylsulfinylphenyl)-1-(4-methylsulfonylphenyl)pyrrole
CID 21221534
[4-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]methanol
CID 21221458
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917520
3-(4-methylsulfonylphenyl)-2-pyridin-2-ylcyclopent-2-en-1-one
CID 10567176
tris(2-pyridin-2-ylpyrrol-1-yl)borane
CID 153309075
4-methyl-3-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]pyridine
CID 21221443
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
2-cyclohexylpyrimidine;4-hydroxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 143747970
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine?
The IUPAC name of 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine (CID 21221511) is 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine?
The canonical SMILES for 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine is CS(=O)(=O)c1ccc(-n2cccc2-c2ccccn2)cc1.
What is the InChIKey of 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine?
The InChIKey is QIUQDZGIVIMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21(19,20)14-9-7-13(8-10-14)18-12-4-6-16(18)15-5-2-3-11-17-15/h2-12H,1H3.
What are the key properties of 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine?
2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine has a molecular weight of 298.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine is sourced from PubChem (CID 21221511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).