N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide

C6H13F2NO3S — CID 103081881

IUPACN-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-13(10,11)9-3-4-12-5-6(7)8/h6,9H,2-5H2,1H3
InChIKeyIEWYIKDAKLHQRC-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.21
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide (PubChem CID 103081881) has the molecular formula C6H13F2NO3S and a molecular weight of 217.24 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide
PubChem CID103081881
Molecular FormulaC6H13F2NO3S
Molecular Weight217.24 g/mol
Exact Mass217.06
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C6H13F2NO3S/c1-2-13(10,11)9-3-4-12-5-6(7)8/h6,9H,2-5H2,1H3
InChIKeyIEWYIKDAKLHQRC-UHFFFAOYSA-N
XLogP0.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide (CID 103081881) is N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide?
The InChIKey is IEWYIKDAKLHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO3S/c1-2-13(10,11)9-3-4-12-5-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide has a molecular weight of 217.24 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 103081881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).