6-bromopyridine-2-sulfonamide

• ChemBase ID: 289307
• Molecular Formular: C5H5BrN2O2S
• Molecular Mass: 237.0744
• Monoisotopic Mass: 235.92551041
• SMILES: O=S(=O)(c1nc(Br)ccc1)N
• Canonical SMILES: Brc1cccc(n1)S(=O)(=O)N
• InChI: InChI=1S/C5H5BrN2O2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H,(H2,7,9,10)
• InChIKey: WAYSQXHNUWIYPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridine-2-sulfonamide
• IUPAC Traditional name: 6-bromopyridine-2-sulfonamide
• Synonyms: 6-Bromopyridine-2-sulfonamide

Database IDs

• CAS Number: 856013-04-2
• PubChem SID: 180674838
• PubChem CID: 57345816

CALCULATED PROPERTIES

• Acid pKa: 8.28274
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.92970234
• LogD (pH = 7.4): 0.8833149
• Log P: 0.93033636
• Molar Refractivity: 44.8375 cm^3
• Polarizability: 17.86146 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%