2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine

C19H17NO3S — CID 22764678

IUPAC2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H17NO3S/c1-15(24(21,22)19-9-5-6-14-20-19)16-10-12-18(13-11-16)23-17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyOBZWEPCWHMHCPD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.41
Rot. Bonds5

About 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine

2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine (PubChem CID 22764678) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
PubChem CID22764678
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine
SMILESCC(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H17NO3S/c1-15(24(21,22)19-9-5-6-14-20-19)16-10-12-18(13-11-16)23-17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyOBZWEPCWHMHCPD-UHFFFAOYSA-N
XLogP4.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
CID 22764673
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
2-[1-(2,6-dichlorophenyl)ethylsulfonyl]pyridine
CID 56617000
2-(1-fluoro-2-methylpropyl)sulfonylpyridine
CID 141385897
(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
CID 95279840
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
CID 25186357
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2-(4-phenoxyphenyl)propanoic acid
CID 527817
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
CID 162539208

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine?
The IUPAC name of 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine (CID 22764678) is 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine?
The canonical SMILES for 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine is CC(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine?
The InChIKey is OBZWEPCWHMHCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-15(24(21,22)19-9-5-6-14-20-19)16-10-12-18(13-11-16)23-17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine?
2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine has a molecular weight of 339.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenoxyphenyl)ethylsulfonyl]pyridine is sourced from PubChem (CID 22764678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).