6-amino-5-bromopyridine-3-sulfonamide

• ChemBase ID: 282571
• Molecular Formular: C5H6BrN3O2S
• Molecular Mass: 252.08904
• Monoisotopic Mass: 250.93640945
• SMILES: S(=O)(=O)(c1cc(c(nc1)N)Br)N
• Canonical SMILES: Nc1ncc(cc1Br)S(=O)(=O)N
• InChI: InChI=1S/C5H6BrN3O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,7,9)(H2,8,10,11)
• InChIKey: XXYFPGBHSSVOMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5-bromopyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-5-bromopyridine-3-sulfonamide
• Synonyms: 6-amino-5-bromopyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09881180
• PubChem SID: 180668102
• PubChem CID: 33726134

CALCULATED PROPERTIES

• Acid pKa: 9.651509
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.104154795
• LogD (pH = 7.4): -0.10626135
• Log P: -0.10411164
• Molar Refractivity: 48.6957 cm^3
• Polarizability: 18.99231 Å^3
• Polar Surface Area: 99.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.403

Product Information

• Purity: 95%