2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine

C18H23NO3S — CID 89440965

IUPAC2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine
SMILESCCC(C)(CC)S(=O)(=O)c1ccc(-c2ccc(OC)nc2)cc1
InChIInChI=1S/C18H23NO3S/c1-5-18(3,6-2)23(20,21)16-10-7-14(8-11-16)15-9-12-17(22-4)19-13-15/h7-13H,5-6H2,1-4H3
InChIKeyFOXTYSTWSXROPD-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.11
Rot. Bonds6

About 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine

2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine (PubChem CID 89440965) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine
PubChem CID89440965
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine
SMILESCCC(C)(CC)S(=O)(=O)c1ccc(-c2ccc(OC)nc2)cc1
InChIInChI=1S/C18H23NO3S/c1-5-18(3,6-2)23(20,21)16-10-7-14(8-11-16)15-9-12-17(22-4)19-13-15/h7-13H,5-6H2,1-4H3
InChIKeyFOXTYSTWSXROPD-UHFFFAOYSA-N
XLogP4.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(4-chlorophenyl)-2-methoxypyridine;ethane
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2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
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7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
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3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
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CID 56863848

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine?
The IUPAC name of 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine (CID 89440965) is 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine is CCC(C)(CC)S(=O)(=O)c1ccc(-c2ccc(OC)nc2)cc1.
What is the InChIKey of 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine?
The InChIKey is FOXTYSTWSXROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-18(3,6-2)23(20,21)16-10-7-14(8-11-16)15-9-12-17(22-4)19-13-15/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine?
2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine has a molecular weight of 333.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(3-methylpentan-3-ylsulfonyl)phenyl]pyridine is sourced from PubChem (CID 89440965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).