2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide

C7H12F3NO6S2 — CID 59046676

IUPAC2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESC=COCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2,11H,1,3-6H2
InChIKeyZMAJGGFMNWUIRQ-UHFFFAOYSA-N
MW327.30 g/mol
LogP-0.07
Rot. Bonds9

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

2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 59046676) has the molecular formula C7H12F3NO6S2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID59046676
Molecular FormulaC7H12F3NO6S2
Molecular Weight327.30 g/mol
Exact Mass327.01
IUPAC Name2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESC=COCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2,11H,1,3-6H2
InChIKeyZMAJGGFMNWUIRQ-UHFFFAOYSA-N
XLogP-0.07
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 164777576
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
2-(3-ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
CID 160760198
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
1,1,1-trifluoro-N-[2-[2-[2-(trifluoromethylsulfonylamino)ethoxy]ethoxy]ethyl]methanesulfonamide
CID 101206163
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
2-ethenoxyethanesulfonyl fluoride
CID 54313803
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 59046676) is 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is C=COCCOCCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is ZMAJGGFMNWUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2,11H,1,3-6H2.
What are the key properties of 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 327.30 g/mol, XLogP of -0.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 59046676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).