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

C25H19NO4S — CID 511925

IUPAC[4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C25H19NO4S/c27-25(20-9-5-2-6-10-20)21-11-13-22(14-12-21)30-24-16-15-23(17-26-24)31(28,29)18-19-7-3-1-4-8-19/h1-17H,18H2
InChIKeyWZAWCBIEFOSNOH-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.08
Rot. Bonds7

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

[4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511925) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511925
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name[4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)Cc3ccccc3)cn2)cc1
InChIInChI=1S/C25H19NO4S/c27-25(20-9-5-2-6-10-20)21-11-13-22(14-12-21)30-24-16-15-23(17-26-24)31(28,29)18-19-7-3-1-4-8-19/h1-17H,18H2
InChIKeyWZAWCBIEFOSNOH-UHFFFAOYSA-N
XLogP5.08
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511925) is [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)Cc3ccccc3)cn2)cc1.
What is the InChIKey of [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is WZAWCBIEFOSNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c27-25(20-9-5-2-6-10-20)21-11-13-22(14-12-21)30-24-16-15-23(17-26-24)31(28,29)18-19-7-3-1-4-8-19/h1-17H,18H2.
What are the key properties of [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone has a molecular weight of 429.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-benzylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).