quinoxaline-5-sulfonyl chloride

• ChemBase ID: 287991
• Molecular Formular: C8H5ClN2O2S
• Molecular Mass: 228.6555
• Monoisotopic Mass: 227.97602609
• SMILES: ClS(=O)(=O)c1cccc2c1nccn2
• Canonical SMILES: ClS(=O)(=O)c1cccc2c1nccn2
• InChI: InChI=1S/C8H5ClN2O2S/c9-14(12,13)7-3-1-2-6-8(7)11-5-4-10-6/h1-5H
• InChIKey: NAKORIYAIZIQHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoxaline-5-sulfonyl chloride
• IUPAC Traditional name: quinoxaline-5-sulfonyl chloride
• Synonyms: Quinoxaline-5-sulfonyl chloride

Database IDs

• CAS Number: 844646-88-4
• MDL Number: MFCD12827951
• PubChem SID: 180673522
• PubChem CID: 16090697

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2453814
• LogD (pH = 7.4): 1.2453814
• Log P: 1.2453814
• Molar Refractivity: 51.6446 cm^3
• Polarizability: 22.113468 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%