1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

C26H20F2O4S — CID 6481347

IUPAC1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2
InChIKeyRPJAKTUUJBBUKA-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.96
Rot. Bonds8

About 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene (PubChem CID 6481347) has the molecular formula C26H20F2O4S and a molecular weight of 466.51 g/mol. Its IUPAC name is 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
PubChem CID6481347
Molecular FormulaC26H20F2O4S
Molecular Weight466.51 g/mol
Exact Mass466.11
IUPAC Name1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
SMILESO=S(=O)(c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2
InChIKeyRPJAKTUUJBBUKA-UHFFFAOYSA-N
XLogP5.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenol, 4-((4-(phenylmethoxy)phenyl)sulfonyl)-
CID 113063
1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
Bps-mpe4
CID 14178379
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
1-Methyl-3-{4-[(4-methylphenyl)sulfonyl]phenoxy}benzene
CID 786799
N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide
CID 9583267
US9771320, Example 13
CID 118220919
2-[4-[[3-(2-Fluorophenyl)phenyl]methoxy]phenyl]sulfonylacetic acid
CID 145965138
Oxirane, 2-methyl-2-((4-((4-(phenylmethoxy)phenyl)sulfonyl)phenoxy)methyl)-
CID 11718506
2-[4-[(3-Phenoxyphenyl)methoxy]phenyl]sulfonylacetic acid
CID 145967558
1-(Trifluoromethylsulfonyl)-4-[[4-(trifluoromethylsulfonyl)phenoxy]methyl]benzene
CID 9846486
4-Trifluoromethylthiobenzyl 4-trifluoromethylsulfonylphenyl ether
CID 18185327

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The IUPAC name of 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene (CID 6481347) is 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The canonical SMILES for 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene is O=S(=O)(c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
The InChIKey is RPJAKTUUJBBUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2.
What are the key properties of 1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene?
1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene has a molecular weight of 466.51 g/mol, XLogP of 5.96, 8 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-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene is sourced from PubChem (CID 6481347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).