N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide

C7H12F3NO4S — CID 82716030

IUPACN-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)6-1-3-14-4-2-6/h6,11H,1-5H2
InChIKeyUJANUTVCCNVGLQ-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.58
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide

N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide (PubChem CID 82716030) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide
PubChem CID82716030
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC NameN-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)6-1-3-14-4-2-6/h6,11H,1-5H2
InChIKeyUJANUTVCCNVGLQ-UHFFFAOYSA-N
XLogP0.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide (CID 82716030) is N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide is O=S(=O)(NOCC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide?
The InChIKey is UJANUTVCCNVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)6-1-3-14-4-2-6/h6,11H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide?
N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide has a molecular weight of 263.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)oxane-4-sulfonamide is sourced from PubChem (CID 82716030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).