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

• ChemBase ID: 124759
• Molecular Formular: C10H9ClN2O3S
• Molecular Mass: 272.70806
• Monoisotopic Mass: 272.00224084
• SMILES: S(=O)(=O)(c1cc(c2nnc(o2)C)ccc1C)Cl
• Canonical SMILES: Cc1nnc(o1)c1ccc(c(c1)S(=O)(=O)Cl)C
• InChI: InChI=1S/C10H9ClN2O3S/c1-6-3-4-8(5-9(6)17(11,14)15)10-13-12-7(2)16-10/h3-5H,1-2H3
• InChIKey: KGYVSKFECNAYRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162219112
• PubChem CID: 52983810

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5622448
• LogD (pH = 7.4): 1.5622449
• Log P: 1.5622449
• Molar Refractivity: 75.7613 cm^3
• Polarizability: 25.370115 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true