benzenesulfonyl azide

• ChemBase ID: 270010
• Molecular Formular: C6H5N3O2S
• Molecular Mass: 183.1878
• Monoisotopic Mass: 183.01024742
• SMILES: S(=O)(=O)(N=[N+]=[N-])c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccc1)N=[N+]=[N-]
• InChI: InChI=1S/C6H5N3O2S/c7-8-9-12(10,11)6-4-2-1-3-5-6/h1-5H
• InChIKey: XMRSVLCCIJUKDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenesulfonyl azide
• IUPAC Traditional name: benzenesulfonyl azide
• Synonyms: benzenesulfonyl azide

Database IDs

• MDL Number: MFCD11632117
• PubChem SID: 164325920
• PubChem CID: 555606

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1101155
• LogD (pH = 7.4): 1.1101155
• Log P: 1.2241611
• Molar Refractivity: 42.773 cm^3
• Polarizability: 16.805573 Å^3
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.854

Product Information

• Purity: 95%