sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide

C7H6F3N2NaO3S — CID 23716494

IUPACsodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide
SMILES[NH-]S(=O)(=O)c1ncccc1OCC(F)(F)F.[Na+]
InChIInChI=1S/C7H6F3N2O3S.Na/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14;/h1-3H,4H2,(H-,11,13,14);/q-1;+1
InChIKeyDYGMRKDWUGHJRW-UHFFFAOYSA-N
MW278.19 g/mol
LogP-1.23
Rot. Bonds3

About sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide

sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide (PubChem CID 23716494) has the molecular formula C7H6F3N2NaO3S and a molecular weight of 278.19 g/mol. Its IUPAC name is sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide.

Molecular Properties

Compound Namesodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide
PubChem CID23716494
Molecular FormulaC7H6F3N2NaO3S
Molecular Weight278.19 g/mol
Exact Mass277.99
IUPAC Namesodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide
SMILES[NH-]S(=O)(=O)c1ncccc1OCC(F)(F)F.[Na+]
InChIInChI=1S/C7H6F3N2O3S.Na/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14;/h1-3H,4H2,(H-,11,13,14);/q-1;+1
InChIKeyDYGMRKDWUGHJRW-UHFFFAOYSA-N
XLogP-1.23
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide?
The IUPAC name of sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide (CID 23716494) is sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide.
What is the SMILES notation for sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide?
The canonical SMILES for sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide is [NH-]S(=O)(=O)c1ncccc1OCC(F)(F)F.[Na+].
What is the InChIKey of sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide?
The InChIKey is DYGMRKDWUGHJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N2O3S.Na/c8-7(9,10)4-15-5-2-1-3-12-6(5)16(11,13)14;/h1-3H,4H2,(H-,11,13,14);/q-1;+1.
What are the key properties of sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide?
sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide has a molecular weight of 278.19 g/mol, XLogP of -1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonylazanide is sourced from PubChem (CID 23716494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).