[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

C19H15NO4S — CID 511934

IUPAC[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)17-8-5-13-20-19(17)24-16-11-9-15(10-12-16)18(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyJJHPKHKGLBVBJZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds5

About [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone

[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511934) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511934
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15NO4S/c1-25(22,23)17-8-5-13-20-19(17)24-16-11-9-15(10-12-16)18(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyJJHPKHKGLBVBJZ-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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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511934) is [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is CS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is JJHPKHKGLBVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-25(22,23)17-8-5-13-20-19(17)24-16-11-9-15(10-12-16)18(21)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(3-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-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).