N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrrolidine-1-sulfonamide

• ChemBase ID: 560801
• Molecular Formular: C18H22N4O2S
• Molecular Mass: 358.45788
• Monoisotopic Mass: 358.14634696
• SMILES: S(=O)(=O)(NC1c2c(nc(nc2)c2ccccc2)CCC1)N1CCCC1
• Canonical SMILES: O=S(=O)(N1CCCC1)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C18H22N4O2S/c23-25(24,22-11-4-5-12-22)21-17-10-6-9-16-15(17)13-19-18(20-16)14-7-2-1-3-8-14/h1-3,7-8,13,17,21H,4-6,9-12H2
• InChIKey: CPRCDDDYTQUTAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrrolidine-1-sulfonamide
• IUPAC Traditional name: N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrrolidine-1-sulfonamide
• Synonyms: N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrrolidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.384821
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2317965
• LogD (pH = 7.4): 2.2316155
• Log P: 2.2320292
• Molar Refractivity: 107.5187 cm^3
• Polarizability: 38.841255 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.46
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 2