N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide

C7H14F3NO3S — CID 61383838

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-5-15(12,13)11-3-4-14-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyLBFNLFLMDKQANJ-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.89
Rot. Bonds7

About N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (PubChem CID 61383838) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
PubChem CID61383838
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-5-15(12,13)11-3-4-14-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyLBFNLFLMDKQANJ-UHFFFAOYSA-N
XLogP0.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.89
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (CID 61383838) is N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The InChIKey is LBFNLFLMDKQANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-2-5-15(12,13)11-3-4-14-6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 61383838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).