4-chloronaphthalene-1-sulfonamide

• ChemBase ID: 237088
• Molecular Formular: C10H8ClNO2S
• Molecular Mass: 241.69402
• Monoisotopic Mass: 240.99642718
• SMILES: S(=O)(=O)(c1c2c(c(cc1)Cl)cccc2)N
• Canonical SMILES: Clc1ccc(c2c1cccc2)S(=O)(=O)N
• InChI: InChI=1S/C10H8ClNO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,(H2,12,13,14)
• InChIKey: YQXWHPSJAYLYED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloronaphthalene-1-sulfonamide
• IUPAC Traditional name: 4-chloronaphthalene-1-sulfonamide
• Synonyms: 4-chloronaphthalene-1-sulfonamide

Database IDs

• MDL Number: MFCD01365830
• PubChem SID: 164292998
• PubChem CID: 222874

CALCULATED PROPERTIES

• Acid pKa: 9.448734
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1727548
• LogD (pH = 7.4): 2.169376
• Log P: 2.172798
• Molar Refractivity: 59.4709 cm^3
• Polarizability: 24.988667 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 2.438

Product Information

• Purity: 95%