2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

C13H11FO2S2 — CID 64636680

IUPAC2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2F)s1
InChIInChI=1S/C13H11FO2S2/c1-9-6-7-12(17-9)11(15)8-18(16)13-5-3-2-4-10(13)14/h2-7H,8H2,1H3
InChIKeyVOOOWWZADYABNS-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone

2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64636680) has the molecular formula C13H11FO2S2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64636680
Molecular FormulaC13H11FO2S2
Molecular Weight282.36 g/mol
Exact Mass282.02
IUPAC Name2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2F)s1
InChIInChI=1S/C13H11FO2S2/c1-9-6-7-12(17-9)11(15)8-18(16)13-5-3-2-4-10(13)14/h2-7H,8H2,1H3
InChIKeyVOOOWWZADYABNS-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-benzylsulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64639257
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636687
2-(4-tert-butylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64638488
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
CID 104756239
1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
CID 64636460
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-fluoro-2-propylsulfinylbenzene
CID 64717305

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone (CID 64636680) is 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CS(=O)c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is VOOOWWZADYABNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S2/c1-9-6-7-12(17-9)11(15)8-18(16)13-5-3-2-4-10(13)14/h2-7H,8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone?
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 282.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64636680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).