2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide

C7H12F3NO3S — CID 114827695

IUPAC2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide
SMILESNS(=O)(=O)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(15(11,12)13)5-1-3-14-4-2-5/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyUSMNUAAIXGJYLD-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.63
Rot. Bonds2

About 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide

2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide (PubChem CID 114827695) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide
PubChem CID114827695
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide
SMILESNS(=O)(=O)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(15(11,12)13)5-1-3-14-4-2-5/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyUSMNUAAIXGJYLD-UHFFFAOYSA-N
XLogP0.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide (CID 114827695) is 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide is NS(=O)(=O)C(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide?
The InChIKey is USMNUAAIXGJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)6(15(11,12)13)5-1-3-14-4-2-5/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide?
2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide has a molecular weight of 247.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 114827695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).