N,N-dimethyl-4-(2-methyl-4-phenylpyrimidine-5-carbonyl)piperazine-1-sulfonamide

• ChemBase ID: 703663
• Molecular Formular: C18H23N5O3S
• Molecular Mass: 389.47192
• Monoisotopic Mass: 389.15216062
• SMILES: S(=O)(=O)(N1CCN(C(=O)c2c(nc(nc2)C)c2ccccc2)CC1)N(C)C
• Canonical SMILES: Cc1ncc(c(n1)c1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C18H23N5O3S/c1-14-19-13-16(17(20-14)15-7-5-4-6-8-15)18(24)22-9-11-23(12-10-22)27(25,26)21(2)3/h4-8,13H,9-12H2,1-3H3
• InChIKey: QMHOXGFWISJIBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(2-methyl-4-phenylpyrimidine-5-carbonyl)piperazine-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-4-(2-methyl-4-phenylpyrimidine-5-carbonyl)piperazine-1-sulfonamide
• Synonyms: N,N-dimethyl-4-[(2-methyl-4-phenylpyrimidin-5-yl)carbonyl]piperazine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5745864
• LogD (pH = 7.4): 0.574748
• Log P: 0.57475007
• Molar Refractivity: 103.4731 cm^3
• Polarizability: 41.25716 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.56
• LOG S: -2.02
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 2