(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone

C14H10F2O3S — CID 21262866

IUPAC(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyVSJYFZBGJQUJFT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.60
Rot. Bonds3

About (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone

(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 21262866) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID21262866
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Name(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyVSJYFZBGJQUJFT-UHFFFAOYSA-N
XLogP2.60
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
CID 43338338
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone (CID 21262866) is (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is VSJYFZBGJQUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 296.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 21262866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).