6-chloro-N,N-dimethylpyridine-3-sulfonamide

• ChemBase ID: 260916
• Molecular Formular: C7H9ClN2O2S
• Molecular Mass: 220.67656
• Monoisotopic Mass: 220.00732622
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)N(C)C
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C7H9ClN2O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3
• InChIKey: ZKZTULWHDVRRJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N,N-dimethylpyridine-3-sulfonamide
• Synonyms: 6-chloro-N,N-dimethylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD01928039
• PubChem SID: 164316826
• PubChem CID: 4729855

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6331781
• LogD (pH = 7.4): 0.6331781
• Log P: 0.6331781
• Molar Refractivity: 51.7185 cm^3
• Polarizability: 20.429127 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 0.711

Product Information

• Purity: 95%