4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine

C24H20N2O4S — CID 6481346

IUPAC4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine
SMILESO=S(=O)(c1ccc(OCc2ccncc2)cc1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C24H20N2O4S/c27-31(28,23-5-1-21(2-6-23)29-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)30-18-20-11-15-26-16-12-20/h1-16H,17-18H2
InChIKeyVLGNGLRPWAENEI-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.47
Rot. Bonds8

About 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine

4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine (PubChem CID 6481346) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine
PubChem CID6481346
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine
SMILESO=S(=O)(c1ccc(OCc2ccncc2)cc1)c1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C24H20N2O4S/c27-31(28,23-5-1-21(2-6-23)29-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)30-18-20-11-15-26-16-12-20/h1-16H,17-18H2
InChIKeyVLGNGLRPWAENEI-UHFFFAOYSA-N
XLogP4.47
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine?
The IUPAC name of 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine (CID 6481346) is 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine?
The canonical SMILES for 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine is O=S(=O)(c1ccc(OCc2ccncc2)cc1)c1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine?
The InChIKey is VLGNGLRPWAENEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-31(28,23-5-1-21(2-6-23)29-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)30-18-20-11-15-26-16-12-20/h1-16H,17-18H2.
What are the key properties of 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine?
4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine has a molecular weight of 432.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine is sourced from PubChem (CID 6481346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).