4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran

C24H14F2O5S2 — CID 148774482

IUPAC4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran
SMILESO=S(=O)(c1ccc(F)cc1)c1cccc2c1oc1c(S(=O)(=O)c3ccc(F)cc3)cccc12
InChIInChI=1S/C24H14F2O5S2/c25-15-7-11-17(12-8-15)32(27,28)21-5-1-3-19-20-4-2-6-22(24(20)31-23(19)21)33(29,30)18-13-9-16(26)10-14-18/h1-14H
InChIKeyOJBOKKQEPYFENZ-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.53
Rot. Bonds4

About 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran

4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran (PubChem CID 148774482) has the molecular formula C24H14F2O5S2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran.

Molecular Properties

Compound Name4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran
PubChem CID148774482
Molecular FormulaC24H14F2O5S2
Molecular Weight484.50 g/mol
Exact Mass484.03
IUPAC Name4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran
SMILESO=S(=O)(c1ccc(F)cc1)c1cccc2c1oc1c(S(=O)(=O)c3ccc(F)cc3)cccc12
InChIInChI=1S/C24H14F2O5S2/c25-15-7-11-17(12-8-15)32(27,28)21-5-1-3-19-20-4-2-6-22(24(20)31-23(19)21)33(29,30)18-13-9-16(26)10-14-18/h1-14H
InChIKeyOJBOKKQEPYFENZ-UHFFFAOYSA-N
XLogP5.53
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316046
4-Dibenzofuransulfonic acid, sodium salt monohydrate
CID 23670751
4,5,6,7-Tetrafluoro-2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-1-benzofuran
CID 2740337
4-Dibenzofuransulfonic acid
CID 261540
3-(4-Fluorophenyl)sulfinyl-2,5-dimethyl-1-benzofuran
CID 57417547
3-(4-Fluorophenyl)sulfinyl-2-methyl-1-benzofuran
CID 57417549
5-Ethyl-3-(4-Fluorophenylsulfonyl)-2-methyl-1-benzofuran
CID 57418585
3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-b]furan
CID 90701594
CID 90726266
CID 90726266
3-(Benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 90733816

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran?
The IUPAC name of 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran (CID 148774482) is 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran.
What is the SMILES notation for 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran?
The canonical SMILES for 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran is O=S(=O)(c1ccc(F)cc1)c1cccc2c1oc1c(S(=O)(=O)c3ccc(F)cc3)cccc12.
What is the InChIKey of 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran?
The InChIKey is OJBOKKQEPYFENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2O5S2/c25-15-7-11-17(12-8-15)32(27,28)21-5-1-3-19-20-4-2-6-22(24(20)31-23(19)21)33(29,30)18-13-9-16(26)10-14-18/h1-14H.
What are the key properties of 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran?
4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran has a molecular weight of 484.50 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-fluorophenyl)sulfonyl]dibenzofuran is sourced from PubChem (CID 148774482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).