pyridine-3-sulfonyl azide

• ChemBase ID: 270116
• Molecular Formular: C5H4N4O2S
• Molecular Mass: 184.17586
• Monoisotopic Mass: 184.00549639
• SMILES: S(=O)(=O)(N=[N+]=[N-])c1cnccc1
• Canonical SMILES: [N-]=[N+]=NS(=O)(=O)c1cccnc1
• InChI: InChI=1S/C5H4N4O2S/c6-8-9-12(10,11)5-2-1-3-7-4-5/h1-4H
• InChIKey: UQOLEKZLCRBTMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-sulfonyl azide
• IUPAC Traditional name: pyridine-3-sulfonyl azide
• Synonyms: pyridine-3-sulfonyl azide

Database IDs

• MDL Number: MFCD11632131
• PubChem SID: 164326026
• PubChem CID: 11816261

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.1075593
• LogD (pH = 7.4): -0.10755691
• Log P: 0.0064887665
• Molar Refractivity: 40.6161 cm^3
• Polarizability: 15.983525 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.357

Product Information

• Purity: 95%