2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide

C6H12F3NO6S2 — CID 170009772

IUPAC2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO6S2/c1-15-2-3-16-4-5-17(11,12)10-18(13,14)6(7,8)9/h10H,2-5H2,1H3
InChIKeyASGALUMLRLATBP-UHFFFAOYSA-N
MW315.29 g/mol
LogP-0.58
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 170009772) has the molecular formula C6H12F3NO6S2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID170009772
Molecular FormulaC6H12F3NO6S2
Molecular Weight315.29 g/mol
Exact Mass315.01
IUPAC Name2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO6S2/c1-15-2-3-16-4-5-17(11,12)10-18(13,14)6(7,8)9/h10H,2-5H2,1H3
InChIKeyASGALUMLRLATBP-UHFFFAOYSA-N
XLogP-0.58
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Difluoroethoxy)ethane-1-sulfonamide
CID 75480961
2,2,2-Trifluoroethane sulfonyl-monomethoxypolyethylene glycol
CID 3081694
2-(2,2,2-Trifluoroethoxy)ethane-1-sulfonamide
CID 61490505
[S-(difluoromethyl)-N-[2-(2-ethenoxyethoxy)ethylsulfonyl]sulfonimidoyl] hypofluorite
CID 20705437
2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 21019464
2-(2-Ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 59046675
2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 59046676
2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
CID 146201187
2-(2-Ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium
CID 153362927
1,4-dioxane;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
CID 161241114
2-[2-(2,2,2-Trifluoroethoxy)ethoxy]ethanesulfonamide
CID 64201105
2-[2-(1,1,1-Trifluoropropan-2-yloxy)ethoxy]ethanesulfonamide
CID 66274902

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 170009772) is 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is COCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is ASGALUMLRLATBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO6S2/c1-15-2-3-16-4-5-17(11,12)10-18(13,14)6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 315.29 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 170009772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).