1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene

C24H16F2O4S — CID 19987041

IUPAC1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H16F2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H
InChIKeyQEESWOAGHDLTSN-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.38
Rot. Bonds6

About 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene

1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene (PubChem CID 19987041) has the molecular formula C24H16F2O4S and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene
PubChem CID19987041
Molecular FormulaC24H16F2O4S
Molecular Weight438.45 g/mol
Exact Mass438.07
IUPAC Name1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H16F2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H
InChIKeyQEESWOAGHDLTSN-UHFFFAOYSA-N
XLogP6.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene (CID 19987041) is 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene is O=S(=O)(c1ccc(Oc2ccc(F)cc2)cc1)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene?
The InChIKey is QEESWOAGHDLTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H.
What are the key properties of 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene?
1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene has a molecular weight of 438.45 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-(4-fluorophenoxy)phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 19987041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).