2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine

C20H19NO2S — CID 15022626

IUPAC2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
SMILESCCc1cccc(-c2cc(S(C)(=O)=O)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19NO2S/c1-3-15-8-7-11-17(12-15)20-14-18(24(2,22)23)13-19(21-20)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3
InChIKeyGRQGMVDTRVZFKS-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine

2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine (PubChem CID 15022626) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
PubChem CID15022626
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
SMILESCCc1cccc(-c2cc(S(C)(=O)=O)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19NO2S/c1-3-15-8-7-11-17(12-15)20-14-18(24(2,22)23)13-19(21-20)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3
InChIKeyGRQGMVDTRVZFKS-UHFFFAOYSA-N
XLogP4.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine?
The IUPAC name of 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine (CID 15022626) is 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine.
What is the SMILES notation for 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine?
The canonical SMILES for 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine is CCc1cccc(-c2cc(S(C)(=O)=O)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine?
The InChIKey is GRQGMVDTRVZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-3-15-8-7-11-17(12-15)20-14-18(24(2,22)23)13-19(21-20)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3.
What are the key properties of 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine?
2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine has a molecular weight of 337.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine is sourced from PubChem (CID 15022626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).