2-(2-ethoxyphenyl)-3-methylsulfonylpyridine

C14H15NO3S — CID 70515395

IUPAC2-(2-ethoxyphenyl)-3-methylsulfonylpyridine
SMILESCCOc1ccccc1-c1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO3S/c1-3-18-12-8-5-4-7-11(12)14-13(19(2,16)17)9-6-10-15-14/h4-10H,3H2,1-2H3
InChIKeyYBFPXFCEPFMNEL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine

2-(2-ethoxyphenyl)-3-methylsulfonylpyridine (PubChem CID 70515395) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-3-methylsulfonylpyridine
PubChem CID70515395
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(2-ethoxyphenyl)-3-methylsulfonylpyridine
SMILESCCOc1ccccc1-c1ncccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO3S/c1-3-18-12-8-5-4-7-11(12)14-13(19(2,16)17)9-6-10-15-14/h4-10H,3H2,1-2H3
InChIKeyYBFPXFCEPFMNEL-UHFFFAOYSA-N
XLogP2.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenyl)pyridine
CID 23466193
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 83203319
2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
CID 157016183
(2-ethoxyphenyl) 2-bromobenzenesulfonate
CID 26948942
2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
CID 141276188
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
3-ethoxy-2-fluoropyridine
CID 11355527
2-(4-tert-butyl-2-ethoxyphenyl)-3-methylpyridine
CID 132851344
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028
3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine?
The IUPAC name of 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine (CID 70515395) is 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine?
The canonical SMILES for 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine is CCOc1ccccc1-c1ncccc1S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine?
The InChIKey is YBFPXFCEPFMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-12-8-5-4-7-11(12)14-13(19(2,16)17)9-6-10-15-14/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine?
2-(2-ethoxyphenyl)-3-methylsulfonylpyridine has a molecular weight of 277.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-3-methylsulfonylpyridine is sourced from PubChem (CID 70515395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).