quinolin-2-ylsulfamic acid

C9H8N2O3S — CID 141346931

IUPACquinolin-2-ylsulfamic acid
SMILESO=S(=O)(O)Nc1ccc2ccccc2n1
InChIInChI=1S/C9H8N2O3S/c12-15(13,14)11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)(H,12,13,14)
InChIKeyQOSPLYOMGISSQA-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.45
Rot. Bonds2

About quinolin-2-ylsulfamic acid

quinolin-2-ylsulfamic acid (PubChem CID 141346931) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is quinolin-2-ylsulfamic acid.

Molecular Properties

Compound Namequinolin-2-ylsulfamic acid
PubChem CID141346931
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namequinolin-2-ylsulfamic acid
SMILESO=S(=O)(O)Nc1ccc2ccccc2n1
InChIInChI=1S/C9H8N2O3S/c12-15(13,14)11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)(H,12,13,14)
InChIKeyQOSPLYOMGISSQA-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze quinolin-2-ylsulfamic 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 quinolin-2-ylsulfamic acid?
The IUPAC name of quinolin-2-ylsulfamic acid (CID 141346931) is quinolin-2-ylsulfamic acid.
What is the SMILES notation for quinolin-2-ylsulfamic acid?
The canonical SMILES for quinolin-2-ylsulfamic acid is O=S(=O)(O)Nc1ccc2ccccc2n1.
What is the InChIKey of quinolin-2-ylsulfamic acid?
The InChIKey is QOSPLYOMGISSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-15(13,14)11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)(H,12,13,14).
What are the key properties of quinolin-2-ylsulfamic acid?
quinolin-2-ylsulfamic acid has a molecular weight of 224.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-ylsulfamic acid is sourced from PubChem (CID 141346931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).