N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide

C10H12F2N2O3S — CID 169034299

IUPACN-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
SMILESCC(=O)NCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H12F2N2O3S/c1-8(15)13-7-5-10(11,12)18(16,17)9-4-2-3-6-14-9/h2-4,6H,5,7H2,1H3,(H,13,15)
InChIKeyGJFSWPSRTCBMGN-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.97
Rot. Bonds5

About N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide

N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide (PubChem CID 169034299) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
PubChem CID169034299
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC NameN-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
SMILESCC(=O)NCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H12F2N2O3S/c1-8(15)13-7-5-10(11,12)18(16,17)9-4-2-3-6-14-9/h2-4,6H,5,7H2,1H3,(H,13,15)
InChIKeyGJFSWPSRTCBMGN-UHFFFAOYSA-N
XLogP0.97
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
CID 169034296
3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
CID 169034286
2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
CID 169034295
2-(tribromomethylsulfonyl)pyridine
CID 159318212
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
N-propylpyridine-2-sulfonamide
CID 91182516
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
tert-butyl N-[2-hydroxy-3-(pyridin-2-ylsulfonylamino)propyl]carbamate
CID 58981687
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
methyl 4-(pyridin-2-ylsulfonylmethyl)benzoate
CID 66877242

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide?
The IUPAC name of N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide (CID 169034299) is N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide?
The canonical SMILES for N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide is CC(=O)NCCC(F)(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide?
The InChIKey is GJFSWPSRTCBMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-8(15)13-7-5-10(11,12)18(16,17)9-4-2-3-6-14-9/h2-4,6H,5,7H2,1H3,(H,13,15).
What are the key properties of N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide?
N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide is sourced from PubChem (CID 169034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).