2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine

C20H19NO4S — CID 1488746

IUPAC2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine
SMILESCOc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C20H19NO4S/c1-14-13-16(15-9-5-4-6-10-15)21-20(19(14)26(3,22)23)25-18-12-8-7-11-17(18)24-2/h4-13H,1-3H3
InChIKeySWZODCNDDZTFCQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine

2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine (PubChem CID 1488746) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine
PubChem CID1488746
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine
SMILESCOc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(C)(=O)=O
InChIInChI=1S/C20H19NO4S/c1-14-13-16(15-9-5-4-6-10-15)21-20(19(14)26(3,22)23)25-18-12-8-7-11-17(18)24-2/h4-13H,1-3H3
InChIKeySWZODCNDDZTFCQ-UHFFFAOYSA-N
XLogP4.26
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine?
The IUPAC name of 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine (CID 1488746) is 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine?
The canonical SMILES for 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine is COc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine?
The InChIKey is SWZODCNDDZTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14-13-16(15-9-5-4-6-10-15)21-20(19(14)26(3,22)23)25-18-12-8-7-11-17(18)24-2/h4-13H,1-3H3.
What are the key properties of 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine?
2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine has a molecular weight of 369.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-4-methyl-3-methylsulfonyl-6-phenylpyridine is sourced from PubChem (CID 1488746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).