3-(3,4-difluorophenyl)-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide

• ChemBase ID: 558461
• Molecular Formular: C14H15F2N3O3S
• Molecular Mass: 343.3490064
• Monoisotopic Mass: 343.0802188
• SMILES: S(=O)(=O)(N1Cc2c(noc2CC1)c1cc(c(cc1)F)F)N(C)C
• Canonical SMILES: Fc1ccc(cc1F)c1noc2c1CN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C14H15F2N3O3S/c1-18(2)23(20,21)19-6-5-13-10(8-19)14(17-22-13)9-3-4-11(15)12(16)7-9/h3-4,7H,5-6,8H2,1-2H3
• InChIKey: WJGJMJPWCLCBEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-difluorophenyl)-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
• IUPAC Traditional name: 3-(3,4-difluorophenyl)-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
• Synonyms: 3-(3,4-difluorophenyl)-N,N-dimethyl-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.042085
• LogD (pH = 7.4): 1.0420866
• Log P: 1.0420866
• Molar Refractivity: 80.9775 cm^3
• Polarizability: 32.03067 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.25
• LOG S: -4.0
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 1