3-phenylquinoxaline-2-sulfonic acid

C14H10N2O3S — CID 21486120

IUPAC3-phenylquinoxaline-2-sulfonic acid
SMILESO=S(=O)(O)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-20(18,19)14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,17,18,19)
InChIKeyQICHLGLBSKIHIE-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.54
Rot. Bonds2

About 3-phenylquinoxaline-2-sulfonic acid

3-phenylquinoxaline-2-sulfonic acid (PubChem CID 21486120) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-phenylquinoxaline-2-sulfonic acid.

Molecular Properties

Compound Name3-phenylquinoxaline-2-sulfonic acid
PubChem CID21486120
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name3-phenylquinoxaline-2-sulfonic acid
SMILESO=S(=O)(O)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-20(18,19)14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,17,18,19)
InChIKeyQICHLGLBSKIHIE-UHFFFAOYSA-N
XLogP2.54
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-phenylquinoxaline-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoxaline-2-sulfonic acid?
The IUPAC name of 3-phenylquinoxaline-2-sulfonic acid (CID 21486120) is 3-phenylquinoxaline-2-sulfonic acid.
What is the SMILES notation for 3-phenylquinoxaline-2-sulfonic acid?
The canonical SMILES for 3-phenylquinoxaline-2-sulfonic acid is O=S(=O)(O)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 3-phenylquinoxaline-2-sulfonic acid?
The InChIKey is QICHLGLBSKIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-20(18,19)14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,17,18,19).
What are the key properties of 3-phenylquinoxaline-2-sulfonic acid?
3-phenylquinoxaline-2-sulfonic acid has a molecular weight of 286.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylquinoxaline-2-sulfonic acid is sourced from PubChem (CID 21486120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).