2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran

C21H15FO4S — CID 22768834

IUPAC2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran
SMILESCOc1ccc(S(=O)(=O)c2c(-c3ccccc3F)oc3ccccc23)cc1
InChIInChI=1S/C21H15FO4S/c1-25-14-10-12-15(13-11-14)27(23,24)21-17-7-3-5-9-19(17)26-20(21)16-6-2-4-8-18(16)22/h2-13H,1H3
InChIKeyVCANVXNVHKRPBW-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.08
Rot. Bonds4

About 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran

2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran (PubChem CID 22768834) has the molecular formula C21H15FO4S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran
PubChem CID22768834
Molecular FormulaC21H15FO4S
Molecular Weight382.41 g/mol
Exact Mass382.07
IUPAC Name2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran
SMILESCOc1ccc(S(=O)(=O)c2c(-c3ccccc3F)oc3ccccc23)cc1
InChIInChI=1S/C21H15FO4S/c1-25-14-10-12-15(13-11-14)27(23,24)21-17-7-3-5-9-19(17)26-20(21)16-6-2-4-8-18(16)22/h2-13H,1H3
InChIKeyVCANVXNVHKRPBW-UHFFFAOYSA-N
XLogP5.08
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenzofuran-2-sulphonic acid
CID 522803
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
[4-(1-Benzofuran-5-yl)phenyl] 4-methylbenzenesulfonate
CID 155540983
[4-(1-Benzofuran-5-yl)phenyl] benzenesulfonate
CID 155556148
1-(4-Fluorophenyl)-3-(furan-2-yl)-3-(phenylsulfonyl)propan-1-one
CID 660889
1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone
CID 15146467
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-4-sulfonyl chloride
CID 2758030
1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one
CID 3135157
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-4H-1-benzo-pyran-4-one
CID 18324902
3-(3-Fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324915

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran?
The IUPAC name of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran (CID 22768834) is 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran?
The canonical SMILES for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran is COc1ccc(S(=O)(=O)c2c(-c3ccccc3F)oc3ccccc23)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran?
The InChIKey is VCANVXNVHKRPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO4S/c1-25-14-10-12-15(13-11-14)27(23,24)21-17-7-3-5-9-19(17)26-20(21)16-6-2-4-8-18(16)22/h2-13H,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran?
2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran has a molecular weight of 382.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-1-benzofuran is sourced from PubChem (CID 22768834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).