3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran

C15H11FO3S — CID 90733816

IUPAC3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
SMILESCc1oc2ccc(F)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11FO3S/c1-10-15(13-9-11(16)7-8-14(13)19-10)20(17,18)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJKMITDNVYZVSMP-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.71
Rot. Bonds2

About 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran

3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran (PubChem CID 90733816) has the molecular formula C15H11FO3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
PubChem CID90733816
Molecular FormulaC15H11FO3S
Molecular Weight290.31 g/mol
Exact Mass290.04
IUPAC Name3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
SMILESCc1oc2ccc(F)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11FO3S/c1-10-15(13-9-11(16)7-8-14(13)19-10)20(17,18)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyJKMITDNVYZVSMP-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzofuran-2-Sulfonamide
CID 10750432
4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
Dibenzofuran-2-sulphonic acid
CID 522803
Ethyl 6-(1-benzofuran-2-ylmethylsulfonyl)cyclohexene-1-carboxylate
CID 44567360
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
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-(phenylsulfonyl)propan-1-one
CID 660889
(E)-3-(1-benzofuran-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 89725419
3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316046
4-[3-(4-Fluoro-phenyl)-benzofuran-2-yl]-benzenesulfonamide
CID 44316113

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran?
The IUPAC name of 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran (CID 90733816) is 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran.
What is the SMILES notation for 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran?
The canonical SMILES for 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran is Cc1oc2ccc(F)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran?
The InChIKey is JKMITDNVYZVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3S/c1-10-15(13-9-11(16)7-8-14(13)19-10)20(17,18)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran?
3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran has a molecular weight of 290.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran is sourced from PubChem (CID 90733816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).