4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane

C24H23FO6S2 — CID 19106763

IUPAC4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane
SMILESCOC1(c2cccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(F)cc4)cc3)c2)CCOCC1
InChIInChI=1S/C24H23FO6S2/c1-30-24(13-15-31-16-14-24)18-3-2-4-23(17-18)33(28,29)22-11-9-21(10-12-22)32(26,27)20-7-5-19(25)6-8-20/h2-12,17H,13-16H2,1H3
InChIKeySYBAASQRZNJRTG-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.14
Rot. Bonds6

About 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane

4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane (PubChem CID 19106763) has the molecular formula C24H23FO6S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane
PubChem CID19106763
Molecular FormulaC24H23FO6S2
Molecular Weight490.57 g/mol
Exact Mass490.09
IUPAC Name4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane
SMILESCOC1(c2cccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(F)cc4)cc3)c2)CCOCC1
InChIInChI=1S/C24H23FO6S2/c1-30-24(13-15-31-16-14-24)18-3-2-4-23(17-18)33(28,29)22-11-9-21(10-12-22)32(26,27)20-7-5-19(25)6-8-20/h2-12,17H,13-16H2,1H3
InChIKeySYBAASQRZNJRTG-UHFFFAOYSA-N
XLogP4.14
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane (CID 19106763) is 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane is COC1(c2cccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(F)cc4)cc3)c2)CCOCC1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane?
The InChIKey is SYBAASQRZNJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO6S2/c1-30-24(13-15-31-16-14-24)18-3-2-4-23(17-18)33(28,29)22-11-9-21(10-12-22)32(26,27)20-7-5-19(25)6-8-20/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane?
4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane has a molecular weight of 490.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)sulfonylphenyl]sulfonylphenyl]-4-methoxyoxane is sourced from PubChem (CID 19106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).