6-chloro-N-cyclopropylpyridine-3-sulfonamide

• ChemBase ID: 252558
• Molecular Formular: C8H9ClN2O2S
• Molecular Mass: 232.68726
• Monoisotopic Mass: 232.00732622
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)NC1CC1
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)NC1CC1
• InChI: InChI=1S/C8H9ClN2O2S/c9-8-4-3-7(5-10-8)14(12,13)11-6-1-2-6/h3-6,11H,1-2H2
• InChIKey: JLCDCYNJKALDJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08444395
• PubChem SID: 164308468
• PubChem CID: 16227290

CALCULATED PROPERTIES

• Acid pKa: 8.99818
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.87494445
• LogD (pH = 7.4): 0.8654952
• Log P: 0.87506664
• Molar Refractivity: 54.033 cm^3
• Polarizability: 21.545113 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 1.683

Product Information

• Purity: 95%