5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride

• ChemBase ID: 121191
• Molecular Formular: C7H5ClN2O4S
• Molecular Mass: 248.6436
• Monoisotopic Mass: 247.96585533
• SMILES: S(=O)(=O)(c1oc(c2nnc(o2)C)cc1)Cl
• Canonical SMILES: Cc1nnc(o1)c1ccc(o1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H5ClN2O4S/c1-4-9-10-7(13-4)5-2-3-6(14-5)15(8,11)12/h2-3H,1H3
• InChIKey: XIKKCLDCCYFSLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride
• IUPAC Traditional name: 5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride
• Synonyms: 5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonyl chloride

Database IDs

• PubChem SID: 162215544
• PubChem CID: 53212056

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.19836116
• LogD (pH = 7.4): 0.1983612
• Log P: 0.1983612
• Molar Refractivity: 62.3643 cm^3
• Polarizability: 20.697683 Å^3
• Polar Surface Area: 86.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true