6-amino-5-chloropyridine-3-sulfonamide

• ChemBase ID: 282569
• Molecular Formular: C5H6ClN3O2S
• Molecular Mass: 207.63804
• Monoisotopic Mass: 206.98692513
• SMILES: S(=O)(=O)(c1cc(c(nc1)N)Cl)N
• Canonical SMILES: Nc1ncc(cc1Cl)S(=O)(=O)N
• InChI: InChI=1S/C5H6ClN3O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,7,9)(H2,8,10,11)
• InChIKey: LSGYCKCADYHOLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18380765
• PubChem SID: 180668100
• PubChem CID: 50989694

CALCULATED PROPERTIES

• Acid pKa: 9.628378
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.26886073
• LogD (pH = 7.4): -0.27108645
• Log P: -0.2688196
• Molar Refractivity: 45.8777 cm^3
• Polarizability: 17.928381 Å^3
• Polar Surface Area: 99.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.203

Product Information

• Purity: 95%