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

C24H25NO4S — CID 511927

IUPAC[4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCCCCCCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C24H25NO4S/c1-2-3-4-8-17-30(27,28)22-15-16-23(25-18-22)29-21-13-11-20(12-14-21)24(26)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3
InChIKeyFYJVLEWBFSDDJG-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.46
Rot. Bonds10

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

[4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511927) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511927
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name[4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESCCCCCCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C24H25NO4S/c1-2-3-4-8-17-30(27,28)22-15-16-23(25-18-22)29-21-13-11-20(12-14-21)24(26)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3
InChIKeyFYJVLEWBFSDDJG-UHFFFAOYSA-N
XLogP5.46
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511927) is [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is CCCCCCS(=O)(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is FYJVLEWBFSDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-3-4-8-17-30(27,28)22-15-16-23(25-18-22)29-21-13-11-20(12-14-21)24(26)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3.
What are the key properties of [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone has a molecular weight of 423.53 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-hexylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).