6-chloro-N-(pyridin-2-yl)pyridine-3-sulfonamide

• ChemBase ID: 252644
• Molecular Formular: C10H8ClN3O2S
• Molecular Mass: 269.70742
• Monoisotopic Mass: 269.00257519
• SMILES: S(=O)(=O)(Nc1ncccc1)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)Nc1ccccn1
• InChI: InChI=1S/C10H8ClN3O2S/c11-9-5-4-8(7-13-9)17(15,16)14-10-3-1-2-6-12-10/h1-7H,(H,12,14)
• InChIKey: JKSGRKZYGYCNAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(pyridin-2-yl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(pyridin-2-yl)pyridine-3-sulfonamide
• Synonyms: 6-chloro-N-pyridin-2-ylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD06293053
• PubChem SID: 164308554
• PubChem CID: 4729888

CALCULATED PROPERTIES

• Acid pKa: 6.135493
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3639079
• LogD (pH = 7.4): 0.6473526
• Log P: 1.4442456
• Molar Refractivity: 64.756 cm^3
• Polarizability: 25.416185 Å^3
• Polar Surface Area: 71.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.642

Product Information

• Purity: 95%