[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

C19H15NO4S — CID 511923

IUPAC[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)17-11-12-18(20-13-17)24-16-9-7-15(8-10-16)19(21)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyLHHUUXXSNNAXGY-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds5

About [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511923) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511923
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)17-11-12-18(20-13-17)24-16-9-7-15(8-10-16)19(21)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyLHHUUXXSNNAXGY-UHFFFAOYSA-N
XLogP3.51
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
CID 43807024
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
2-methoxy-5-methylsulfonylpyridine
CID 13433434
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
CID 87649173
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
2-[[2-methylsulfonyloxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
CID 87649945
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511923) is [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is CS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is LHHUUXXSNNAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-25(22,23)17-11-12-18(20-13-17)24-16-9-7-15(8-10-16)19(21)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone has a molecular weight of 353.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).