2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone

C12H12F2O4S — CID 104756136

IUPAC2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone
SMILESO=C(CS(=O)(=O)c1cc(F)ccc1F)C1CCOC1
InChIInChI=1S/C12H12F2O4S/c13-9-1-2-10(14)12(5-9)19(16,17)7-11(15)8-3-4-18-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyJJYDNZBRGZFMLC-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.34
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone

2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone (PubChem CID 104756136) has the molecular formula C12H12F2O4S and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone
PubChem CID104756136
Molecular FormulaC12H12F2O4S
Molecular Weight290.29 g/mol
Exact Mass290.04
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone
SMILESO=C(CS(=O)(=O)c1cc(F)ccc1F)C1CCOC1
InChIInChI=1S/C12H12F2O4S/c13-9-1-2-10(14)12(5-9)19(16,17)7-11(15)8-3-4-18-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyJJYDNZBRGZFMLC-UHFFFAOYSA-N
XLogP1.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[2-(benzenesulfonyl)ethyl]-2-fluoro-3-oxobutanoate
CID 102084436
3-[2-(Benzenesulfonyl)-2-fluoroethyl]oxolane
CID 134921093
6-(3-Fluorophenyl)sulfonyl-4-methoxyhexan-2-one
CID 23531606
6-(4-Fluorophenyl)sulfonyl-4-methoxyhexan-2-one
CID 23531609
Ethanethioic acid trans-(+/-)-S-[5-[[(4-fluorophenyl)sulfonyl]methyl]tetrahydro-3-furanyl]ester
CID 86750317
(4S)-3-(4-fluorophenyl)sulfonyl-4-propyloxolan-2-one
CID 146281493
[(3,4-Difluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
CID 172736315
[(3-Fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
CID 172816018
(3S,4R)-3-(benzenesulfonyl)-4-methyloxolan-2-one
CID 11413773
Ethyl 2-(benzenesulfonylmethyl)-4,4,4-trifluoro-3-oxobutanoate
CID 3422463
2-[(3,4-Difluorophenyl)sulfonylmethyl]oxolane
CID 60453025
2-[(2,4-Difluorophenyl)sulfonylmethyl]oxolane
CID 60453881

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone (CID 104756136) is 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone is O=C(CS(=O)(=O)c1cc(F)ccc1F)C1CCOC1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone?
The InChIKey is JJYDNZBRGZFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O4S/c13-9-1-2-10(14)12(5-9)19(16,17)7-11(15)8-3-4-18-6-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone?
2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone has a molecular weight of 290.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104756136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).