N-benzyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzene-1-sulfonamide

• ChemBase ID: 229418
• Molecular Formular: C22H18ClN3O2S
• Molecular Mass: 423.91522
• Monoisotopic Mass: 423.08082551
• SMILES: S(=O)(=O)(N(c1nc2c(nc1Cl)cccc2)Cc1ccccc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N(c1nc2ccccc2nc1Cl)Cc1ccccc1
• InChI: InChI=1S/C22H18ClN3O2S/c1-16-11-13-18(14-12-16)29(27,28)26(15-17-7-3-2-4-8-17)22-21(23)24-19-9-5-6-10-20(19)25-22/h2-14H,15H2,1H3
• InChIKey: FWKGDFVSORLIAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzene-1-sulfonamide
• IUPAC Traditional name: N-benzyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
• Synonyms: N-Benzyl-N-(3-chloro-quinoxalin-2-yl)-4-methyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD03655403
• PubChem SID: 164285328
• PubChem CID: 2383981

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.6669936
• LogD (pH = 7.4): 5.6669936
• Log P: 5.6669936
• Molar Refractivity: 115.0127 cm^3
• Polarizability: 46.06118 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.21

Product Information

• Purity: 95%