4-chloropyridine-3-sulfonamide

• ChemBase ID: 78553
• Molecular Formular: C5H5ClN2O2S
• Molecular Mass: 192.6234
• Monoisotopic Mass: 191.97602609
• SMILES: n1cc(c(cc1)Cl)S(=O)(=O)N
• Canonical SMILES: Clc1ccncc1S(=O)(=O)N
• InChI: InChI=1S/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10)
• InChIKey: DGIINIBYHCODIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridine-3-sulfonamide
• IUPAC Traditional name: 4-chloropyridine-3-sulfonamide
• Synonyms: 4-Chloropyridine-3-sulphonamide; 4-Chloropyridine-3-sulfonamide; 4-Chloro-3-pyridinesulfonamide; 4-氯吡啶-3-磺酰胺

Database IDs

• CAS Number: 33263-43-3
• EC Number: 251-434-4
• MDL Number: MFCD04038136
• PubChem SID: 162043316
• PubChem CID: 118426

CALCULATED PROPERTIES

• Acid pKa: 8.464101
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.03477299
• LogD (pH = 7.4): -0.06603999
• Log P: -0.034351166
• Molar Refractivity: 40.8638 cm^3
• Polarizability: 16.762808 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-154°C; 150-155°C dec.

Safety Information

• Storage Warning: Harmful/Keep Cold
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%