2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide

C7H14F3NO7S2 — CID 21019464

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CCOCCOCCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO7S2/c8-7(9,10)20(15,16)11-19(13,14)6-5-18-4-3-17-2-1-12/h11-12H,1-6H2
InChIKeyBAJZPOBWUWDCLC-UHFFFAOYSA-N
MW345.32 g/mol
LogP-1.22
Rot. Bonds10

About 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide

2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 21019464) has the molecular formula C7H14F3NO7S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID21019464
Molecular FormulaC7H14F3NO7S2
Molecular Weight345.32 g/mol
Exact Mass345.02
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CCOCCOCCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO7S2/c8-7(9,10)20(15,16)11-19(13,14)6-5-18-4-3-17-2-1-12/h11-12H,1-6H2
InChIKeyBAJZPOBWUWDCLC-UHFFFAOYSA-N
XLogP-1.22
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 21019464) is 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide is O=S(=O)(CCOCCOCCO)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is BAJZPOBWUWDCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO7S2/c8-7(9,10)20(15,16)11-19(13,14)6-5-18-4-3-17-2-1-12/h11-12H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide?
2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 345.32 g/mol, XLogP of -1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 21019464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).