5-chloro-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-sulfonamide

• ChemBase ID: 420330
• Molecular Formular: C19H22ClNO3S2
• Molecular Mass: 411.96588
• Monoisotopic Mass: 411.07296325
• SMILES: S(=O)(=O)(c1sc(cc1)Cl)N(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: Clc1ccc(s1)S(=O)(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C19H22ClNO3S2/c20-18-10-11-19(25-18)26(22,23)21(16-6-7-16)12-14-4-8-17(9-5-14)24-13-15-2-1-3-15/h4-5,8-11,15-16H,1-3,6-7,12-13H2
• InChIKey: SVJRAIDWGWPJEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-sulfonamide
• IUPAC Traditional name: 5-chloro-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-sulfonamide
• Synonyms: 5-chloro-N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-thiophenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0006194
• LogD (pH = 7.4): 5.0006194
• Log P: 5.0006194
• Molar Refractivity: 103.0697 cm^3
• Polarizability: 41.64311 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.35
• LOG S: -4.87
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7