2,3-dichlorobenzene-1-sulfonamide

• ChemBase ID: 28673
• Molecular Formular: C6H5Cl2NO2S
• Molecular Mass: 226.0804
• Monoisotopic Mass: 224.94180477
• SMILES: c1(c(c(ccc1)Cl)Cl)S(=O)(=O)N
• Canonical SMILES: Clc1cccc(c1Cl)S(=O)(=O)N
• InChI: InChI=1S/C6H5Cl2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
• InChIKey: QJARBNAXWFCCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorobenzene-1-sulfonamide
• IUPAC Traditional name: 2,3-dichlorobenzenesulfonamide
• Synonyms: 2,3-Dichlorobenzenesulfonamide; 2,3-Dichlorobenzenesulfonamide; 2,3-二氯苯磺酰胺

Database IDs

• MDL Number: MFCD00464303
• PubChem SID: 160991980
• PubChem CID: 8317947

CALCULATED PROPERTIES

• Acid pKa: 8.48782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7869705
• LogD (pH = 7.4): 1.7572895
• Log P: 1.7873659
• Molar Refractivity: 47.8255 cm^3
• Polarizability: 19.57094 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218-221°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%