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

C15H12F2O3S — CID 64643351

IUPAC2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O3S/c1-10-3-2-4-11(7-10)15(18)9-21(19,20)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyVYRKPPBQIWBZOG-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.93
Rot. Bonds4

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

2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone (PubChem CID 64643351) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
PubChem CID64643351
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O3S/c1-10-3-2-4-11(7-10)15(18)9-21(19,20)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3
InChIKeyVYRKPPBQIWBZOG-UHFFFAOYSA-N
XLogP2.93
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
CID 64635764
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-(3-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641630
N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232961
1-(2,5-dibromothiophen-3-yl)-2-(3,4-difluorophenyl)sulfonylethanone
CID 64642993
2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992926
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(3,4-difluorophenyl)-2-propan-2-ylsulfonylethanone
CID 64637510
2-(3-methoxypropylsulfonyl)-1-(3-methylphenyl)ethanone
CID 64637916
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
1-(3-methylphenyl)butan-1-one
CID 4304992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone (CID 64643351) is 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone?
The InChIKey is VYRKPPBQIWBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-10-3-2-4-11(7-10)15(18)9-21(19,20)12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone?
2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone has a molecular weight of 310.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 64643351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).