N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide

C9H12F2N2O3S — CID 75510360

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C9H12F2N2O3S/c1-2-17(14,15)13-8-4-3-5-9(12-8)16-6-7(10)11/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyWHEWXFVBJPSWDG-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.49
Rot. Bonds6

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide (PubChem CID 75510360) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide
PubChem CID75510360
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C9H12F2N2O3S/c1-2-17(14,15)13-8-4-3-5-9(12-8)16-6-7(10)11/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyWHEWXFVBJPSWDG-UHFFFAOYSA-N
XLogP1.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide (CID 75510360) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(OCC(F)F)n1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide?
The InChIKey is WHEWXFVBJPSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-2-17(14,15)13-8-4-3-5-9(12-8)16-6-7(10)11/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 75510360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).