2-(2,2-difluoroethoxy)ethanesulfonamide

C4H9F2NO3S — CID 75480961

IUPAC2-(2,2-difluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCC(F)F
InChIInChI=1S/C4H9F2NO3S/c5-4(6)3-10-1-2-11(7,8)9/h4H,1-3H2,(H2,7,8,9)
InChIKeyHSYBJJYIEHCUBU-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.44
Rot. Bonds5

About 2-(2,2-difluoroethoxy)ethanesulfonamide

2-(2,2-difluoroethoxy)ethanesulfonamide (PubChem CID 75480961) has the molecular formula C4H9F2NO3S and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)ethanesulfonamide
PubChem CID75480961
Molecular FormulaC4H9F2NO3S
Molecular Weight189.18 g/mol
Exact Mass189.03
IUPAC Name2-(2,2-difluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOCC(F)F
InChIInChI=1S/C4H9F2NO3S/c5-4(6)3-10-1-2-11(7,8)9/h4H,1-3H2,(H2,7,8,9)
InChIKeyHSYBJJYIEHCUBU-UHFFFAOYSA-N
XLogP-0.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.44
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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Related Compounds

2-(2,2,2-Trifluoroethoxy)ethane-1-sulfonamide
CID 61490505
3-(2,2-Difluoroethoxy)propane-1-sulfonyl chloride
CID 82010144
2-(Trifluoromethoxy)ethane-1-sulfonamide
CID 104821786
2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
CID 146201187
(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
CID 147498682
2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 170009772
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonamide
CID 61491401
3-(2,2,2-Trifluoroethoxy)propane-1-sulfonyl chloride
CID 61491407
2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethanesulfonamide
CID 64201105
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonamide
CID 64201106
4-(2,2,2-Trifluoroethoxy)butane-1-sulfonamide
CID 64201107
4-(2,2,3,3-Tetrafluoropropoxy)butane-1-sulfonamide
CID 64203383

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)ethanesulfonamide?
The IUPAC name of 2-(2,2-difluoroethoxy)ethanesulfonamide (CID 75480961) is 2-(2,2-difluoroethoxy)ethanesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)ethanesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)ethanesulfonamide is NS(=O)(=O)CCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)ethanesulfonamide?
The InChIKey is HSYBJJYIEHCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO3S/c5-4(6)3-10-1-2-11(7,8)9/h4H,1-3H2,(H2,7,8,9).
What are the key properties of 2-(2,2-difluoroethoxy)ethanesulfonamide?
2-(2,2-difluoroethoxy)ethanesulfonamide has a molecular weight of 189.18 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 75480961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).