(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone

C14H10F2O3S — CID 43337472

IUPAC(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
InChIKeyJUZNSVAPKRCIQW-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.60
Rot. Bonds3

About (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone

(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 43337472) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID43337472
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Name(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
InChIKeyJUZNSVAPKRCIQW-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

(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
2-[6-fluoro-4-(4-methylsulfonylbenzoyl)naphthalen-2-yl]propanoic acid
CID 46205209
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 8979230

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone (CID 43337472) is (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is JUZNSVAPKRCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone?
(2,5-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 (2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43337472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).