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

C20H17NO4S — CID 511935

IUPAC[4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCCS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-2-26(23,24)18-9-6-14-21-20(18)25-17-12-10-16(11-13-17)19(22)15-7-4-3-5-8-15/h3-14H,2H2,1H3
InChIKeyWCRQZOMXGKQHRK-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.90
Rot. Bonds6

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

[4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511935) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511935
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name[4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCCS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-2-26(23,24)18-9-6-14-21-20(18)25-17-12-10-16(11-13-17)19(22)15-7-4-3-5-8-15/h3-14H,2H2,1H3
InChIKeyWCRQZOMXGKQHRK-UHFFFAOYSA-N
XLogP3.90
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511935) is [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is CCS(=O)(=O)c1cccnc1Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is WCRQZOMXGKQHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-2-26(23,24)18-9-6-14-21-20(18)25-17-12-10-16(11-13-17)19(22)15-7-4-3-5-8-15/h3-14H,2H2,1H3.
What are the key properties of [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone has a molecular weight of 367.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).