2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide

C5H10F3NO3S — CID 59512207

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-12-3-2-9-13(10,11)4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyODOLPPZIFDHKGO-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.11
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide

2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide (PubChem CID 59512207) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide
PubChem CID59512207
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-12-3-2-9-13(10,11)4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyODOLPPZIFDHKGO-UHFFFAOYSA-N
XLogP0.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.11
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 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide (CID 59512207) is 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide is COCCNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide?
The InChIKey is ODOLPPZIFDHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-12-3-2-9-13(10,11)4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide?
2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)ethanesulfonamide is sourced from PubChem (CID 59512207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).