2-(trifluoromethyl)oxane-4-sulfonamide

C6H10F3NO3S — CID 130546323

IUPAC2-(trifluoromethyl)oxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)5-3-4(1-2-13-5)14(10,11)12/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyJLQLEHXENFYBPL-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.38
Rot. Bonds1

About 2-(trifluoromethyl)oxane-4-sulfonamide

2-(trifluoromethyl)oxane-4-sulfonamide (PubChem CID 130546323) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)oxane-4-sulfonamide.

Molecular Properties

Compound Name2-(trifluoromethyl)oxane-4-sulfonamide
PubChem CID130546323
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name2-(trifluoromethyl)oxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)5-3-4(1-2-13-5)14(10,11)12/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyJLQLEHXENFYBPL-UHFFFAOYSA-N
XLogP0.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxan-2-ylmethanesulfonamide
CID 47003000
2-(Oxan-2-yl)ethane-1-sulfonamide
CID 126970892
2-(Trifluoromethyl)oxane-4-sulfonyl chloride
CID 130512680
4-Fluorooxane-2-sulfonamide
CID 151662798
6-(2,2,2-Trifluoroethoxy)hexane-1-sulfonamide
CID 64198260
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonamide
CID 64201106
6-(1,1,1-Trifluoropropan-2-yloxy)hexane-1-sulfonamide
CID 66277696
6-(2,2-Difluoroethoxy)hexane-1-sulfonamide
CID 82009199
5-(2,2-Difluoroethoxy)pentane-1-sulfonamide
CID 82009782
N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide
CID 82716030
6-(4,4,4-Trifluorobutoxy)hexane-1-sulfonamide
CID 82795377
6-(3,3,3-Trifluoropropoxy)hexane-1-sulfonamide
CID 82958832

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)oxane-4-sulfonamide?
The IUPAC name of 2-(trifluoromethyl)oxane-4-sulfonamide (CID 130546323) is 2-(trifluoromethyl)oxane-4-sulfonamide.
What is the SMILES notation for 2-(trifluoromethyl)oxane-4-sulfonamide?
The canonical SMILES for 2-(trifluoromethyl)oxane-4-sulfonamide is NS(=O)(=O)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)oxane-4-sulfonamide?
The InChIKey is JLQLEHXENFYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)5-3-4(1-2-13-5)14(10,11)12/h4-5H,1-3H2,(H2,10,11,12).
What are the key properties of 2-(trifluoromethyl)oxane-4-sulfonamide?
2-(trifluoromethyl)oxane-4-sulfonamide has a molecular weight of 233.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)oxane-4-sulfonamide is sourced from PubChem (CID 130546323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).