6-ethoxypyridine-3-sulfonamide

• ChemBase ID: 275421
• Molecular Formular: C7H10N2O3S
• Molecular Mass: 202.2309
• Monoisotopic Mass: 202.04121319
• SMILES: S(=O)(=O)(c1cnc(cc1)OCC)N
• Canonical SMILES: CCOc1ccc(cn1)S(=O)(=O)N
• InChI: InChI=1S/C7H10N2O3S/c1-2-12-7-4-3-6(5-9-7)13(8,10)11/h3-5H,2H2,1H3,(H2,8,10,11)
• InChIKey: LZCZNRYQZPZYRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridine-3-sulfonamide
• IUPAC Traditional name: 6-ethoxypyridine-3-sulfonamide
• Synonyms: 6-ethoxypyridine-3-sulfonamide

Database IDs

• PubChem SID: 164331331
• PubChem CID: 71758753

CALCULATED PROPERTIES

• Acid pKa: 9.836227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15518054
• LogD (pH = 7.4): 0.15379205
• Log P: 0.15519838
• Molar Refractivity: 47.5843 cm^3
• Polarizability: 19.155935 Å^3
• Polar Surface Area: 82.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.048

Product Information

• Purity: 95%