5-aminonaphthalene-1-sulfonamide hydrochloride

• ChemBase ID: 160330
• Molecular Formular: C10H11ClN2O2S
• Molecular Mass: 258.72454
• Monoisotopic Mass: 258.02297628
• SMILES: c1ccc(c2c1c(ccc2)S(=O)(=O)N)N.Cl
• Canonical SMILES: Nc1cccc2c1cccc2S(=O)(=O)N.Cl
• InChI: InChI=1S/C10H10N2O2S.ClH/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h1-6H,11H2,(H2,12,13,14);1H
• InChIKey: WWBOBZDWXGYVDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminonaphthalene-1-sulfonamide hydrochloride
• IUPAC Traditional name: 5-aminonaphthalene-1-sulfonamide hydrochloride
• Synonyms: 1-Aminonaphthalene-5-sulfonamide; 5-Amino-1-naphthalenesulfonamide Hydrochloride

Database IDs

• PubChem SID: 162254465
• PubChem CID: 46780315

CALCULATED PROPERTIES

• Acid pKa: 9.967354
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.73589945
• LogD (pH = 7.4): 0.7387376
• Log P: 0.7398274
• Molar Refractivity: 59.3665 cm^3
• Polarizability: 24.24348 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; Hot Methanol
• Apperance: Grey Solid
• Melting Point: 260°C; Softens at 215-230°C