2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone

C15H12F2O2S — CID 64638502

IUPAC2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O2S/c1-10-3-2-4-11(7-10)15(18)9-20(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyURHMQNOKGGRQJA-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.26
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone

2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone (PubChem CID 64638502) has the molecular formula C15H12F2O2S and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
PubChem CID64638502
Molecular FormulaC15H12F2O2S
Molecular Weight294.32 g/mol
Exact Mass294.05
IUPAC Name2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O2S/c1-10-3-2-4-11(7-10)15(18)9-20(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyURHMQNOKGGRQJA-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298
2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
CID 64643351
1-(3,4-difluorophenyl)sulfinylpentan-2-one
CID 64638301
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
2-(3-methylbutan-2-ylsulfinyl)-1-(3-methylphenyl)ethanone
CID 107767608
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
CID 64640763

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone (CID 64638502) is 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CS(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone?
The InChIKey is URHMQNOKGGRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2S/c1-10-3-2-4-11(7-10)15(18)9-20(19)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone?
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone has a molecular weight of 294.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 64638502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).