phthalazine-1-sulfonic acid

C8H6N2O3S — CID 151983836

IUPACphthalazine-1-sulfonic acid
SMILESO=S(=O)(O)c1nncc2ccccc12
InChIInChI=1S/C8H6N2O3S/c11-14(12,13)8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,11,12,13)
InChIKeyUDGFHBAAXPEYQZ-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.88
Rot. Bonds1

About phthalazine-1-sulfonic acid

phthalazine-1-sulfonic acid (PubChem CID 151983836) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is phthalazine-1-sulfonic acid.

Molecular Properties

Compound Namephthalazine-1-sulfonic acid
PubChem CID151983836
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Namephthalazine-1-sulfonic acid
SMILESO=S(=O)(O)c1nncc2ccccc12
InChIInChI=1S/C8H6N2O3S/c11-14(12,13)8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,11,12,13)
InChIKeyUDGFHBAAXPEYQZ-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'}

Analyze phthalazine-1-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 phthalazine-1-sulfonic acid?
The IUPAC name of phthalazine-1-sulfonic acid (CID 151983836) is phthalazine-1-sulfonic acid.
What is the SMILES notation for phthalazine-1-sulfonic acid?
The canonical SMILES for phthalazine-1-sulfonic acid is O=S(=O)(O)c1nncc2ccccc12.
What is the InChIKey of phthalazine-1-sulfonic acid?
The InChIKey is UDGFHBAAXPEYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-14(12,13)8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,11,12,13).
What are the key properties of phthalazine-1-sulfonic acid?
phthalazine-1-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 phthalazine-1-sulfonic acid is sourced from PubChem (CID 151983836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).