N-(5-bromopyridin-2-yl)methanesulfonamide

• ChemBase ID: 311399
• Molecular Formular: C6H7BrN2O2S
• Molecular Mass: 251.10098
• Monoisotopic Mass: 249.94116047
• SMILES: S(=O)(=O)(Nc1ncc(Br)cc1)C
• Canonical SMILES: Brc1ccc(nc1)NS(=O)(=O)C
• InChI: InChI=1S/C6H7BrN2O2S/c1-12(10,11)9-6-3-2-5(7)4-8-6/h2-4H,1H3,(H,8,9)
• InChIKey: WOYAADKYEDTQCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-bromopyridin-2-yl)methanesulfonamide
• IUPAC Traditional name: N-(5-bromopyridin-2-yl)methanesulfonamide
• Synonyms: N-(5-bromo-2-pyridinyl)methanesulfonamide

Database IDs

• CAS Number: 89466-22-8
• MDL Number: MFCD00739958

CALCULATED PROPERTIES

• Log P: 0.49192274
• Molar Refractivity: 48.5206 cm^3
• Polarizability: 19.623655 Å^3
• Polar Surface Area: 59.06 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48920867
• LogD (pH = 7.4): 0.32510352