2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C18H22N2O3S — CID 110871730

IUPAC2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2c2ccccn2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-11-15(23-3)12-14(2)18(13)24(21,22)20-10-6-8-17(20)16-7-4-5-9-19-16/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyLLSKFGBWFKBQPM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.23
Rot. Bonds4

About 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine

2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 110871730) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID110871730
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2c2ccccn2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-11-15(23-3)12-14(2)18(13)24(21,22)20-10-6-8-17(20)16-7-4-5-9-19-16/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyLLSKFGBWFKBQPM-UHFFFAOYSA-N
XLogP3.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 110871730) is 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine is COc1cc(C)c(S(=O)(=O)N2CCCC2c2ccccn2)c(C)c1.
What is the InChIKey of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is LLSKFGBWFKBQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-11-15(23-3)12-14(2)18(13)24(21,22)20-10-6-8-17(20)16-7-4-5-9-19-16/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3.
What are the key properties of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 346.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110871730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).