quinoxaline-2-sulfonic acid

C8H6N2O3S — CID 23470783

IUPACquinoxaline-2-sulfonic acid
SMILESO=S(=O)(O)c1cnc2ccccc2n1
InChIInChI=1S/C8H6N2O3S/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,11,12,13)
InChIKeyGQLNDUDWXKHBND-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.88
Rot. Bonds1

About quinoxaline-2-sulfonic acid

quinoxaline-2-sulfonic acid (PubChem CID 23470783) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is quinoxaline-2-sulfonic acid.

Molecular Properties

Compound Namequinoxaline-2-sulfonic acid
PubChem CID23470783
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Namequinoxaline-2-sulfonic acid
SMILESO=S(=O)(O)c1cnc2ccccc2n1
InChIInChI=1S/C8H6N2O3S/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,11,12,13)
InChIKeyGQLNDUDWXKHBND-UHFFFAOYSA-N
XLogP0.88
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.88
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 quinoxaline-2-sulfonic acid?
The IUPAC name of quinoxaline-2-sulfonic acid (CID 23470783) is quinoxaline-2-sulfonic acid.
What is the SMILES notation for quinoxaline-2-sulfonic acid?
The canonical SMILES for quinoxaline-2-sulfonic acid is O=S(=O)(O)c1cnc2ccccc2n1.
What is the InChIKey of quinoxaline-2-sulfonic acid?
The InChIKey is GQLNDUDWXKHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,11,12,13).
What are the key properties of quinoxaline-2-sulfonic acid?
quinoxaline-2-sulfonic acid has a molecular weight of 210.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-2-sulfonic acid is sourced from PubChem (CID 23470783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).