N-(3-chloroquinoxalin-2-yl)-N,4-dimethylbenzene-1-sulfonamide

• ChemBase ID: 229419
• Molecular Formular: C16H14ClN3O2S
• Molecular Mass: 347.81926
• Monoisotopic Mass: 347.04952538
• SMILES: S(=O)(=O)(N(c1nc2c(nc1Cl)cccc2)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N(c1nc2ccccc2nc1Cl)C
• InChI: InChI=1S/C16H14ClN3O2S/c1-11-7-9-12(10-8-11)23(21,22)20(2)16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,1-2H3
• InChIKey: SEWWGWUVTGMWLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloroquinoxalin-2-yl)-N,4-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: N-(3-chloroquinoxalin-2-yl)-N,4-dimethylbenzenesulfonamide
• Synonyms: N-(3-Chloro-quinoxalin-2-yl)-4,N-dimethyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD00394772
• PubChem SID: 164285329
• PubChem CID: 2306191

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9425204
• LogD (pH = 7.4): 3.9425204
• Log P: 3.9425204
• Molar Refractivity: 90.4001 cm^3
• Polarizability: 36.470535 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.442

Product Information

• Purity: 95%