4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde

C24H23NO4S — CID 88740797

IUPAC4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)C4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C24H23NO4S/c26-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)29-24-15-14-23(16-25-24)30(27,28)22-4-2-1-3-5-22/h6-17,22H,1-5H2
InChIKeyYBAGWVHHORLSNU-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.46
Rot. Bonds6

About 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde

4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde (PubChem CID 88740797) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde
PubChem CID88740797
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)C4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C24H23NO4S/c26-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)29-24-15-14-23(16-25-24)30(27,28)22-4-2-1-3-5-22/h6-17,22H,1-5H2
InChIKeyYBAGWVHHORLSNU-UHFFFAOYSA-N
XLogP5.46
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde?
The IUPAC name of 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde (CID 88740797) is 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde?
The canonical SMILES for 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)C4CCCCC4)cn3)cc2)cc1.
What is the InChIKey of 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde?
The InChIKey is YBAGWVHHORLSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c26-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)29-24-15-14-23(16-25-24)30(27,28)22-4-2-1-3-5-22/h6-17,22H,1-5H2.
What are the key properties of 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde?
4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde has a molecular weight of 421.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-cyclohexylsulfonyl-2-pyridinyl)oxy]phenyl]benzaldehyde is sourced from PubChem (CID 88740797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).