3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide

C7H7F3N2O3S — CID 11054990

IUPAC3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3S/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyPEXWMSDUWGUEPX-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.67
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide

3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide (PubChem CID 11054990) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide
PubChem CID11054990
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.20 g/mol
Exact Mass256.01
IUPAC Name3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O3S/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14/h1-3H,4H2,(H2,11,13,14)
InChIKeyPEXWMSDUWGUEPX-UHFFFAOYSA-N
XLogP0.67
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide (CID 11054990) is 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide is NS(=O)(=O)c1ncccc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide?
The InChIKey is PEXWMSDUWGUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14/h1-3H,4H2,(H2,11,13,14).
What are the key properties of 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide?
3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide has a molecular weight of 256.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 11054990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).