6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

• ChemBase ID: 270856
• Molecular Formular: C8H6ClN3O2S2
• Molecular Mass: 275.73514
• Monoisotopic Mass: 274.95899613
• SMILES: S(=O)(=O)(Nc1nccs1)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)Nc1nccs1
• InChI: InChI=1S/C8H6ClN3O2S2/c9-7-2-1-6(5-11-7)16(13,14)12-8-10-3-4-15-8/h1-5H,(H,10,12)
• InChIKey: CCHVCPBBHPRKEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
• Synonyms: 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD04176837
• PubChem SID: 164326766
• PubChem CID: 943191

CALCULATED PROPERTIES

• Acid pKa: 6.5782814
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3797824
• LogD (pH = 7.4): 0.7724331
• Log P: 1.4105033
• Molar Refractivity: 61.2811 cm^3
• Polarizability: 24.210756 Å^3
• Polar Surface Area: 71.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 1.489

Product Information

• Purity: 95%