2,3-difluoroquinoxaline-6-sulfonic acid

C8H4F2N2O3S — CID 23470784

IUPAC2,3-difluoroquinoxaline-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2nc(F)c(F)nc2c1
InChIInChI=1S/C8H4F2N2O3S/c9-7-8(10)12-6-3-4(16(13,14)15)1-2-5(6)11-7/h1-3H,(H,13,14,15)
InChIKeyUNULWBIKRNTARX-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.15
Rot. Bonds1

About 2,3-difluoroquinoxaline-6-sulfonic acid

2,3-difluoroquinoxaline-6-sulfonic acid (PubChem CID 23470784) has the molecular formula C8H4F2N2O3S and a molecular weight of 246.19 g/mol. Its IUPAC name is 2,3-difluoroquinoxaline-6-sulfonic acid.

Molecular Properties

Compound Name2,3-difluoroquinoxaline-6-sulfonic acid
PubChem CID23470784
Molecular FormulaC8H4F2N2O3S
Molecular Weight246.19 g/mol
Exact Mass245.99
IUPAC Name2,3-difluoroquinoxaline-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2nc(F)c(F)nc2c1
InChIInChI=1S/C8H4F2N2O3S/c9-7-8(10)12-6-3-4(16(13,14)15)1-2-5(6)11-7/h1-3H,(H,13,14,15)
InChIKeyUNULWBIKRNTARX-UHFFFAOYSA-N
XLogP1.15
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoroquinoxaline-6-sulfonic acid?
The IUPAC name of 2,3-difluoroquinoxaline-6-sulfonic acid (CID 23470784) is 2,3-difluoroquinoxaline-6-sulfonic acid.
What is the SMILES notation for 2,3-difluoroquinoxaline-6-sulfonic acid?
The canonical SMILES for 2,3-difluoroquinoxaline-6-sulfonic acid is O=S(=O)(O)c1ccc2nc(F)c(F)nc2c1.
What is the InChIKey of 2,3-difluoroquinoxaline-6-sulfonic acid?
The InChIKey is UNULWBIKRNTARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3S/c9-7-8(10)12-6-3-4(16(13,14)15)1-2-5(6)11-7/h1-3H,(H,13,14,15).
What are the key properties of 2,3-difluoroquinoxaline-6-sulfonic acid?
2,3-difluoroquinoxaline-6-sulfonic acid has a molecular weight of 246.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoroquinoxaline-6-sulfonic acid is sourced from PubChem (CID 23470784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).