N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-3-sulfonamide

• ChemBase ID: 613995
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: S(=O)(=O)(NC1CN(C2Cc3c(C2)cccc3)CCC1)c1cnccc1
• Canonical SMILES: O=S(=O)(c1cccnc1)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H23N3O2S/c23-25(24,19-8-3-9-20-13-19)21-17-7-4-10-22(14-17)18-11-15-5-1-2-6-16(15)12-18/h1-3,5-6,8-9,13,17-18,21H,4,7,10-12,14H2
• InChIKey: FRTXXSVEVOXRQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-3-sulfonamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyridine-3-sulfonamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-3-pyridinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.461926
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.055401385
• LogD (pH = 7.4): 1.6623061
• Log P: 2.0441444
• Molar Refractivity: 98.5334 cm^3
• Polarizability: 38.942562 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.79
• LOG S: -3.18
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3