[4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

C19H15NO4S — CID 511936

IUPAC[4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)18-9-5-8-17(20-18)24-16-12-10-15(11-13-16)19(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyOYSAGIPAWXBNLI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds5

About [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

[4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511936) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511936
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)18-9-5-8-17(20-18)24-16-12-10-15(11-13-16)19(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyOYSAGIPAWXBNLI-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

Analyze [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511936) is [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is CS(=O)(=O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2)n1.
What is the InChIKey of [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is OYSAGIPAWXBNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-25(22,23)18-9-5-8-17(20-18)24-16-12-10-15(11-13-16)19(21)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of [4-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(6-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-[(6-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).