1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone

C13H11FO4S2 — CID 64641787

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
SMILESCOc1ccc(F)cc1C(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C13H11FO4S2/c1-18-12-5-4-9(14)7-10(12)11(15)8-20(16,17)13-3-2-6-19-13/h2-7H,8H2,1H3
InChIKeyGIMMMLHJGYUPKL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone

1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone (PubChem CID 64641787) has the molecular formula C13H11FO4S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
PubChem CID64641787
Molecular FormulaC13H11FO4S2
Molecular Weight314.36 g/mol
Exact Mass314.01
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
SMILESCOc1ccc(F)cc1C(=O)CS(=O)(=O)c1cccs1
InChIInChI=1S/C13H11FO4S2/c1-18-12-5-4-9(14)7-10(12)11(15)8-20(16,17)13-3-2-6-19-13/h2-7H,8H2,1H3
InChIKeyGIMMMLHJGYUPKL-UHFFFAOYSA-N
XLogP2.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
CID 64642162
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
CID 64641649
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanone
CID 64636580
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819298
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
4-fluoro-2-(thiophen-2-ylsulfonylmethyl)aniline
CID 43444040
2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43228012

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone (CID 64641787) is 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone is COc1ccc(F)cc1C(=O)CS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone?
The InChIKey is GIMMMLHJGYUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4S2/c1-18-12-5-4-9(14)7-10(12)11(15)8-20(16,17)13-3-2-6-19-13/h2-7H,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone has a molecular weight of 314.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone is sourced from PubChem (CID 64641787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).