3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride

• ChemBase ID: 240601
• Molecular Formular: C7H5Cl2N3O2S
• Molecular Mass: 266.1045
• Monoisotopic Mass: 264.94795278
• SMILES: c12n(nc(c1Cl)C)cc(S(=O)(=O)Cl)cn2
• Canonical SMILES: Cc1nn2c(c1Cl)ncc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C7H5Cl2N3O2S/c1-4-6(8)7-10-2-5(15(9,13)14)3-12(7)11-4/h2-3H,1H3
• InChIKey: MHFZKQRFRQLREC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
• IUPAC Traditional name: 3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
• Synonyms: 3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride

Database IDs

• MDL Number: MFCD22392179
• PubChem SID: 164296511
• PubChem CID: 71756593

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.334647
• LogD (pH = 7.4): 1.33469
• Log P: 1.3346905
• Molar Refractivity: 67.3641 cm^3
• Polarizability: 22.370121 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.505

Product Information

• Purity: 95%