4-anilino-5-bromopyridine-3-sulfonic acid

C11H9BrN2O3S — CID 102538943

IUPAC4-anilino-5-bromopyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cncc(Br)c1Nc1ccccc1
InChIInChI=1S/C11H9BrN2O3S/c12-9-6-13-7-10(18(15,16)17)11(9)14-8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16,17)
InChIKeyFDCQPWOPZMCPJN-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.83
Rot. Bonds3

About 4-anilino-5-bromopyridine-3-sulfonic acid

4-anilino-5-bromopyridine-3-sulfonic acid (PubChem CID 102538943) has the molecular formula C11H9BrN2O3S and a molecular weight of 329.18 g/mol. Its IUPAC name is 4-anilino-5-bromopyridine-3-sulfonic acid.

Molecular Properties

Compound Name4-anilino-5-bromopyridine-3-sulfonic acid
PubChem CID102538943
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.18 g/mol
Exact Mass327.95
IUPAC Name4-anilino-5-bromopyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cncc(Br)c1Nc1ccccc1
InChIInChI=1S/C11H9BrN2O3S/c12-9-6-13-7-10(18(15,16)17)11(9)14-8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16,17)
InChIKeyFDCQPWOPZMCPJN-UHFFFAOYSA-N
XLogP2.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-anilino-5-bromopyridine-3-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 4-anilino-5-bromopyridine-3-sulfonic acid?
The IUPAC name of 4-anilino-5-bromopyridine-3-sulfonic acid (CID 102538943) is 4-anilino-5-bromopyridine-3-sulfonic acid.
What is the SMILES notation for 4-anilino-5-bromopyridine-3-sulfonic acid?
The canonical SMILES for 4-anilino-5-bromopyridine-3-sulfonic acid is O=S(=O)(O)c1cncc(Br)c1Nc1ccccc1.
What is the InChIKey of 4-anilino-5-bromopyridine-3-sulfonic acid?
The InChIKey is FDCQPWOPZMCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S/c12-9-6-13-7-10(18(15,16)17)11(9)14-8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16,17).
What are the key properties of 4-anilino-5-bromopyridine-3-sulfonic acid?
4-anilino-5-bromopyridine-3-sulfonic acid has a molecular weight of 329.18 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-bromopyridine-3-sulfonic acid is sourced from PubChem (CID 102538943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).