4-phenoxyfuran-2-sulfonyl chloride

• ChemBase ID: 92409
• Molecular Formular: C10H7ClO4S
• Molecular Mass: 258.67818
• Monoisotopic Mass: 257.97535738
• SMILES: o1cc(cc1S(=O)(=O)Cl)Oc1ccccc1
• Canonical SMILES: ClS(=O)(=O)c1occ(c1)Oc1ccccc1
• InChI: InChI=1S/C10H7ClO4S/c11-16(12,13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h1-7H
• InChIKey: IILZFFNMDRPULT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenoxyfuran-2-sulfonyl chloride
• IUPAC Traditional name: 4-phenoxyfuran-2-sulfonyl chloride
• Synonyms: 4-Phenoxyfuran-2-sulphonyl chloride 95%

Database IDs

• MDL Number: MFCD08235264
• PubChem SID: 162079107
• PubChem CID: 44119794

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6493726
• LogD (pH = 7.4): 2.6493726
• Log P: 2.6493726
• Molar Refractivity: 58.2597 cm^3
• Polarizability: 23.671097 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true