N-methyl-N-(pyrazin-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide

• ChemBase ID: 830141
• Molecular Formular: C17H20N4O3S
• Molecular Mass: 360.4307
• Monoisotopic Mass: 360.12561152
• SMILES: S(=O)(=O)(N(Cc1nccnc1)C)c1ccc(C(=O)N2CCCC2)cc1
• Canonical SMILES: CN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCCC1)Cc1nccnc1
• InChI: InChI=1S/C17H20N4O3S/c1-20(13-15-12-18-8-9-19-15)25(23,24)16-6-4-14(5-7-16)17(22)21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3
• InChIKey: KSZSGQILSBARMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyrazin-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-methyl-N-(pyrazin-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
• Synonyms: N-methyl-N-(2-pyrazinylmethyl)-4-(1-pyrrolidinylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.10101589
• LogD (pH = 7.4): 0.10101873
• Log P: 0.101018764
• Molar Refractivity: 94.1987 cm^3
• Polarizability: 36.59436 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.16
• LOG S: -3.0
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 4