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

C38H24F2O6S — CID 58750873

IUPAC[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H24F2O6S/c39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)45-33-17-21-35(22-18-33)47(43,44)36-23-19-34(20-24-36)46-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26/h1-24H
InChIKeyVCBFRJNGLMSESC-UHFFFAOYSA-N
MW646.67 g/mol
LogP8.84
Rot. Bonds10

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

[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58750873) has the molecular formula C38H24F2O6S and a molecular weight of 646.67 g/mol. Its IUPAC name is [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone
PubChem CID58750873
Molecular FormulaC38H24F2O6S
Molecular Weight646.67 g/mol
Exact Mass646.13
IUPAC Name[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H24F2O6S/c39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)45-33-17-21-35(22-18-33)47(43,44)36-23-19-34(20-24-36)46-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26/h1-24H
InChIKeyVCBFRJNGLMSESC-UHFFFAOYSA-N
XLogP8.84
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.67
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
Methanone, (4-(4-(methylsulfonyl)phenoxy)phenyl)phenyl-
CID 514878
Ethanone, 1-(4-(4-(methylsulfonyl)phenoxy)phenyl)-
CID 514879
1-(4-Fluorophenyl)-3-(4-methoxyphenyl)-3-(phenylsulfonyl)propan-1-one
CID 2885001
1-(4-Ethoxyphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 9944854
4-({4-[(4-Fluorobenzoyl)oxy]phenyl}sulfonyl)phenyl 4-fluorobenzoate
CID 1714942
3-((4-Fluorophenyl)sulfonyl)-1-(4-methoxyphenyl)-1-propanone
CID 3569193
4,4-Bis(benzenesulfonyl)-4-fluoro-1-(4-methoxyphenyl)-3-phenylbutan-1-one
CID 135060809
(3R,4R)-4-(benzenesulfonyl)-4-fluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 135061126
(3R,4R)-4-(benzenesulfonyl)-4-fluoro-1-(4-methoxyphenyl)-3-phenylbutan-1-one
CID 135061264
4,4-Bis(benzenesulfonyl)-4-fluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 135061404
(3R,4R)-4-(benzenesulfonyl)-4-fluoro-1,3-bis(4-methoxyphenyl)butan-1-one
CID 135061585

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone (CID 58750873) is [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is VCBFRJNGLMSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F2O6S/c39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)45-33-17-21-35(22-18-33)47(43,44)36-23-19-34(20-24-36)46-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26/h1-24H.
What are the key properties of [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone?
[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 646.67 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).