(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone

C25H16F2O4S — CID 67686188

IUPAC(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H16F2O4S/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)31-22-11-15-24(16-12-22)32(29,30)23-13-7-20(27)8-14-23/h1-16H
InChIKeyGJISYYMDZQAFIL-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.82
Rot. Bonds6

About (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone

(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone (PubChem CID 67686188) has the molecular formula C25H16F2O4S and a molecular weight of 450.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone
PubChem CID67686188
Molecular FormulaC25H16F2O4S
Molecular Weight450.46 g/mol
Exact Mass450.07
IUPAC Name(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H16F2O4S/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)31-22-11-15-24(16-12-22)32(29,30)23-13-7-20(27)8-14-23/h1-16H
InChIKeyGJISYYMDZQAFIL-UHFFFAOYSA-N
XLogP5.82
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone (CID 67686188) is (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone?
The InChIKey is GJISYYMDZQAFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O4S/c26-19-5-1-17(2-6-19)25(28)18-3-9-21(10-4-18)31-22-11-15-24(16-12-22)32(29,30)23-13-7-20(27)8-14-23/h1-16H.
What are the key properties of (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone?
(4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone has a molecular weight of 450.46 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]methanone is sourced from PubChem (CID 67686188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).