N-{3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl}pyridine-2-carboxamide

• ChemBase ID: 312963
• Molecular Formular: C18H13Cl2N3O3S
• Molecular Mass: 422.28512
• Monoisotopic Mass: 421.00546765
• SMILES: c1cccc(n1)C(=O)Nc1cc(c(cc1)S(=O)(=O)Nc1c(cccc1)Cl)Cl
• Canonical SMILES: O=C(c1ccccn1)Nc1ccc(c(c1)Cl)S(=O)(=O)Nc1ccccc1Cl
• InChI: InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)
• InChIKey: IXHCGJXBIHHIEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl}pyridine-2-carboxamide
• IUPAC Traditional name: N-{3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl}pyridine-2-carboxamide
• Synonyms: VU 0364439

Database IDs

• CAS Number: 1246086-78-1

CALCULATED PROPERTIES

• Acid pKa: 8.38175
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.9285543
• LogD (pH = 7.4): 3.8911107
• Log P: 3.929063
• Molar Refractivity: 105.5044 cm^3
• Polarizability: 40.75573 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: GluR

Product Information

• Salt Data: Free Base