2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide

C10H9F2NO4S — CID 114232173

IUPAC2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2NO4S/c11-6-2-1-3-7(12)10(6)8(14)4-18(16,17)5-9(13)15/h1-3H,4-5H2,(H2,13,15)
InChIKeyHJUPUXUAFFBODB-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.05
Rot. Bonds5

About 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide

2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide (PubChem CID 114232173) has the molecular formula C10H9F2NO4S and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide
PubChem CID114232173
Molecular FormulaC10H9F2NO4S
Molecular Weight277.25 g/mol
Exact Mass277.02
IUPAC Name2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2NO4S/c11-6-2-1-3-7(12)10(6)8(14)4-18(16,17)5-9(13)15/h1-3H,4-5H2,(H2,13,15)
InChIKeyHJUPUXUAFFBODB-UHFFFAOYSA-N
XLogP0.05
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
CID 161042703
CID 161042703
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
2-fluoro-6-hydroxybenzamide
CID 15219200
(2R)-2-amino-4-(2,6-difluorophenyl)-4-oxobutanoic acid
CID 106702770
1-(2,6-difluorophenyl)hexane-1,3-dione
CID 61393364
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570616
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide (CID 114232173) is 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide is NC(=O)CS(=O)(=O)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is HJUPUXUAFFBODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4S/c11-6-2-1-3-7(12)10(6)8(14)4-18(16,17)5-9(13)15/h1-3H,4-5H2,(H2,13,15).
What are the key properties of 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide?
2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 277.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 114232173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).