1-ethyl-N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide

• ChemBase ID: 476628
• Molecular Formular: C17H23N3O2S
• Molecular Mass: 333.44842
• Monoisotopic Mass: 333.15109799
• SMILES: S(=O)(=O)(c1c(n(nc1)CC)C)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: CCn1ncc(c1C)S(=O)(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C17H23N3O2S/c1-4-20-13(2)17(12-18-20)23(21,22)19(3)16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,12,16H,4,7,9,11H2,1-3H3
• InChIKey: FUHSJZDJVXFCRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
• IUPAC Traditional name: 1-ethyl-N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
• Synonyms: 1-ethyl-N,5-dimethyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-pyrazole-4-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7241142
• LogD (pH = 7.4): 2.724124
• Log P: 2.7241242
• Molar Refractivity: 103.6054 cm^3
• Polarizability: 35.782047 Å^3
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.54
• LOG S: -4.65
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3