pyridine-4-sulfonamide

• ChemBase ID: 63117
• Molecular Formular: C5H6N2O2S
• Molecular Mass: 158.17834
• Monoisotopic Mass: 158.01499844
• SMILES: S(=O)(=O)(c1ccncc1)N
• Canonical SMILES: NS(=O)(=O)c1ccncc1
• InChI: InChI=1S/C5H6N2O2S/c6-10(8,9)5-1-3-7-4-2-5/h1-4H,(H2,6,8,9)
• InChIKey: XFIUZEAHIJGTTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-4-sulfonamide
• IUPAC Traditional name: pyridine-4-sulfonamide
• Synonyms: 4-Pyridinesulfonamide; pyridine-4-sulfonamide

Database IDs

• CAS Number: 65938-88-7
• MDL Number: MFCD12913636
• PubChem SID: 162028856
• PubChem CID: 12383449

CALCULATED PROPERTIES

• Acid pKa: 9.832364
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.63853014
• LogD (pH = 7.4): -0.63981616
• Log P: -0.63839585
• Molar Refractivity: 36.059 cm^3
• Polarizability: 14.774498 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.295

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%