N-(5-sulfamoylnaphthalen-1-yl)acetamide

• ChemBase ID: 158929
• Molecular Formular: C12H12N2O3S
• Molecular Mass: 264.30028
• Monoisotopic Mass: 264.05686325
• SMILES: c1ccc(c2c1c(ccc2)S(=O)(=O)N)NC(=O)C
• Canonical SMILES: CC(=O)Nc1cccc2c1cccc2S(=O)(=O)N
• InChI: InChI=1S/C12H12N2O3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
• InChIKey: OXGMADUQTHJYOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-sulfamoylnaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(5-sulfamoylnaphthalen-1-yl)acetamide
• Synonyms: N-[5-(Aminosulfonyl)-1-naphthalenyl]acetamide; N-(5-Sulfamoyl-1-naphthyl)acetamide; 5-Acetamidonaphthalene-1-sulfonamide

Database IDs

• CAS Number: 32327-48-3
• PubChem SID: 162253064
• PubChem CID: 3403698

CALCULATED PROPERTIES

• Acid pKa: 9.950583
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.80645007
• LogD (pH = 7.4): 0.80538243
• Log P: 0.8064637
• Molar Refractivity: 69.5291 cm^3
• Polarizability: 27.98863 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Hot Ethanol; Hot Methanol
• Apperance: Pale Orange Solid
• Melting Point: 264-266°C(dec.)

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 98%