N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide

C9H10F2N2O3S — CID 169034296

IUPACN-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
SMILESCC(=O)NCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H10F2N2O3S/c1-7(14)13-6-9(10,11)17(15,16)8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyKWYIQLJCRRMJNU-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.58
Rot. Bonds4

About N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide

N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide (PubChem CID 169034296) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
PubChem CID169034296
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC NameN-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
SMILESCC(=O)NCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H10F2N2O3S/c1-7(14)13-6-9(10,11)17(15,16)8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyKWYIQLJCRRMJNU-UHFFFAOYSA-N
XLogP0.58
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
CID 169034299
2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
CID 169034295
3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
CID 169034286
2-(tribromomethylsulfonyl)pyridine
CID 159318212
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
methyl 4-(pyridin-2-ylsulfonylmethyl)benzoate
CID 66877242
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
N-[2-acetamido-3-oxo-2-(pyridine-2-carbonyl)-3-pyridin-2-ylpropyl]acetamide
CID 173299705
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
N-propylpyridine-2-sulfonamide
CID 91182516

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide?
The IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide (CID 169034296) is N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide is CC(=O)NCC(F)(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide?
The InChIKey is KWYIQLJCRRMJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-7(14)13-6-9(10,11)17(15,16)8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide?
N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide is sourced from PubChem (CID 169034296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).