2-(naphthalene-2-sulfonamido)benzamide

• ChemBase ID: 74589
• Molecular Formular: C17H14N2O3S
• Molecular Mass: 326.36966
• Monoisotopic Mass: 326.07251332
• SMILES: S(=O)(=O)(c1cc2ccccc2cc1)Nc1ccccc1C(=O)N
• Canonical SMILES: NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C17H14N2O3S/c18-17(20)15-7-3-4-8-16(15)19-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,(H2,18,20)
• InChIKey: BGVAHNPIMLUQAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalene-2-sulfonamido)benzamide
• IUPAC Traditional name: 2-(naphthalene-2-sulfonamido)benzamide
• Synonyms: 2-[(2-Naphthylsulphonyl)amino]benzamide

Database IDs

• MDL Number: MFCD00495271
• PubChem SID: 162039508
• PubChem CID: 2737707

CALCULATED PROPERTIES

• Acid pKa: 7.109015
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2916894
• LogD (pH = 7.4): 1.9179561
• Log P: 2.3010283
• Molar Refractivity: 88.4188 cm^3
• Polarizability: 35.522198 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true