N-cyclobutyl-3-(4-methyl-1,2,3,6-tetrahydropyridine-1-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 736686
• Molecular Formular: C17H22N2O3S
• Molecular Mass: 334.43318
• Monoisotopic Mass: 334.13511357
• SMILES: S(=O)(=O)(NC1CCC1)c1cc(C(=O)N2CC=C(CC2)C)ccc1
• Canonical SMILES: CC1=CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)NC1CCC1
• InChI: InChI=1S/C17H22N2O3S/c1-13-8-10-19(11-9-13)17(20)14-4-2-7-16(12-14)23(21,22)18-15-5-3-6-15/h2,4,7-8,12,15,18H,3,5-6,9-11H2,1H3
• InChIKey: JXYSARKBLZAUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-(4-methyl-1,2,3,6-tetrahydropyridine-1-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-cyclobutyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
• Synonyms: N-cyclobutyl-3-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.870979
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.898775
• LogD (pH = 7.4): 1.8974931
• Log P: 1.8987914
• Molar Refractivity: 91.1832 cm^3
• Polarizability: 35.162487 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.88
• LOG S: -3.24
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3