N-(4-sulfamoylnaphthalen-1-yl)propanamide

• ChemBase ID: 248349
• Molecular Formular: C13H14N2O3S
• Molecular Mass: 278.32686
• Monoisotopic Mass: 278.07251332
• SMILES: S(=O)(=O)(c1c2c(c(NC(=O)CC)cc1)cccc2)N
• Canonical SMILES: CCC(=O)Nc1ccc(c2c1cccc2)S(=O)(=O)N
• InChI: InChI=1S/C13H14N2O3S/c1-2-13(16)15-11-7-8-12(19(14,17)18)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H,15,16)(H2,14,17,18)
• InChIKey: NSVIIGYLOOHSNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-sulfamoylnaphthalen-1-yl)propanamide
• IUPAC Traditional name: N-(4-sulfamoylnaphthalen-1-yl)propanamide
• Synonyms: N-(4-sulfamoylnaphthalen-1-yl)propanamide

Database IDs

• PubChem SID: 164304259
• PubChem CID: 71758452

CALCULATED PROPERTIES

• Acid pKa: 10.030177
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5069882
• LogD (pH = 7.4): 1.506099
• Log P: 1.5069996
• Molar Refractivity: 74.156 cm^3
• Polarizability: 29.82906 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.349

Product Information

• Purity: null%