2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran

C21H15FO3S — CID 155536520

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C21H15FO3S/c1-26(23,24)17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)25-21(20)15-6-10-16(22)11-7-15/h2-13H,1H3
InChIKeyWDMMMXVLFPOMGA-UHFFFAOYSA-N
MW366.41 g/mol
LogP5.31
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran

2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran (PubChem CID 155536520) has the molecular formula C21H15FO3S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
PubChem CID155536520
Molecular FormulaC21H15FO3S
Molecular Weight366.41 g/mol
Exact Mass366.07
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3ccccc23)cc1
InChIInChI=1S/C21H15FO3S/c1-26(23,24)17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)25-21(20)15-6-10-16(22)11-7-15/h2-13H,1H3
InChIKeyWDMMMXVLFPOMGA-UHFFFAOYSA-N
XLogP5.31
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
[4-(1-Benzofuran-5-yl)phenyl] 4-methylbenzenesulfonate
CID 155540983
[4-(1-Benzofuran-5-yl)phenyl] benzenesulfonate
CID 155556148
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
Dibenzofuran-2-yl 4-fluorobenzenesulfonate
CID 2138754
2-(4-Methylsulfonylphenyl)-3-phenylchromen-4-one
CID 9821032
3-(1-Benzothiophen-2-yl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 9932523
3-(2-Methylphenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324901

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran (CID 155536520) is 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran is CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3ccccc23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran?
The InChIKey is WDMMMXVLFPOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3S/c1-26(23,24)17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)25-21(20)15-6-10-16(22)11-7-15/h2-13H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran?
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran has a molecular weight of 366.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran is sourced from PubChem (CID 155536520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).