quinoxaline-2-sulfonic acid;hydrochloride

C8H7ClN2O3S — CID 174889444

IUPACquinoxaline-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cnc2ccccc2n1
InChIInChI=1S/C8H6N2O3S.ClH/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,11,12,13);1H
InChIKeyVCKBZOCZKZGKFJ-UHFFFAOYSA-N
MW246.68 g/mol
LogP1.30
Rot. Bonds1

About quinoxaline-2-sulfonic acid;hydrochloride

quinoxaline-2-sulfonic acid;hydrochloride (PubChem CID 174889444) has the molecular formula C8H7ClN2O3S and a molecular weight of 246.68 g/mol. Its IUPAC name is quinoxaline-2-sulfonic acid;hydrochloride.

Molecular Properties

Compound Namequinoxaline-2-sulfonic acid;hydrochloride
PubChem CID174889444
Molecular FormulaC8H7ClN2O3S
Molecular Weight246.68 g/mol
Exact Mass245.99
IUPAC Namequinoxaline-2-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cnc2ccccc2n1
InChIInChI=1S/C8H6N2O3S.ClH/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,11,12,13);1H
InChIKeyVCKBZOCZKZGKFJ-UHFFFAOYSA-N
XLogP1.30
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 51.30
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;hydrochloride?
The IUPAC name of quinoxaline-2-sulfonic acid;hydrochloride (CID 174889444) is quinoxaline-2-sulfonic acid;hydrochloride.
What is the SMILES notation for quinoxaline-2-sulfonic acid;hydrochloride?
The canonical SMILES for quinoxaline-2-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1cnc2ccccc2n1.
What is the InChIKey of quinoxaline-2-sulfonic acid;hydrochloride?
The InChIKey is VCKBZOCZKZGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S.ClH/c11-14(12,13)8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,11,12,13);1H.
What are the key properties of quinoxaline-2-sulfonic acid;hydrochloride?
quinoxaline-2-sulfonic acid;hydrochloride has a molecular weight of 246.68 g/mol, XLogP of 1.30, 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;hydrochloride is sourced from PubChem (CID 174889444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).