acridine-2-sulfonic acid

C13H9NO3S — CID 3024577

IUPACacridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9NO3S/c15-18(16,17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H,(H,15,16,17)
InChIKeyVPDHPIXLWQMFFQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.63
Rot. Bonds1

About acridine-2-sulfonic acid

acridine-2-sulfonic acid (PubChem CID 3024577) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is acridine-2-sulfonic acid.

Molecular Properties

Compound Nameacridine-2-sulfonic acid
PubChem CID3024577
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Nameacridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9NO3S/c15-18(16,17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H,(H,15,16,17)
InChIKeyVPDHPIXLWQMFFQ-UHFFFAOYSA-N
XLogP2.63
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridine-2-sulfonic acid?
The IUPAC name of acridine-2-sulfonic acid (CID 3024577) is acridine-2-sulfonic acid.
What is the SMILES notation for acridine-2-sulfonic acid?
The canonical SMILES for acridine-2-sulfonic acid is O=S(=O)(O)c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine-2-sulfonic acid?
The InChIKey is VPDHPIXLWQMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-18(16,17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H,(H,15,16,17).
What are the key properties of acridine-2-sulfonic acid?
acridine-2-sulfonic acid has a molecular weight of 259.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-2-sulfonic acid is sourced from PubChem (CID 3024577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).