5-bromopyridine-2-sulfonamide

• ChemBase ID: 271875
• Molecular Formular: C5H5BrN2O2S
• Molecular Mass: 237.0744
• Monoisotopic Mass: 235.92551041
• SMILES: S(=O)(=O)(c1ncc(cc1)Br)N
• Canonical SMILES: Brc1ccc(nc1)S(=O)(=O)N
• InChI: InChI=1S/C5H5BrN2O2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H,(H2,7,9,10)
• InChIKey: XZPDTZOKNNJLTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopyridine-2-sulfonamide
• IUPAC Traditional name: 5-bromopyridine-2-sulfonamide
• Synonyms: 5-bromopyridine-2-sulfonamide

Database IDs

• MDL Number: MFCD16093789
• PubChem SID: 164327785
• PubChem CID: 50989786

CALCULATED PROPERTIES

• Acid pKa: 8.371928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.72429794
• LogD (pH = 7.4): 0.6860448
• Log P: 0.7248143
• Molar Refractivity: 43.9953 cm^3
• Polarizability: 17.814823 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 172°C
• Hydrophobicity(logP): 0.763

Product Information

• Purity: 95%