4-sulfamoyl-N-(thiolan-3-yl)benzamide

• ChemBase ID: 681538
• Molecular Formular: C11H14N2O3S2
• Molecular Mass: 286.37046
• Monoisotopic Mass: 286.04458432
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CCSC2)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NC1CSCC1
• InChI: InChI=1S/C11H14N2O3S2/c12-18(15,16)10-3-1-8(2-4-10)11(14)13-9-5-6-17-7-9/h1-4,9H,5-7H2,(H,13,14)(H2,12,15,16)
• InChIKey: QLZPNJYJXQYSFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-sulfamoyl-N-(thiolan-3-yl)benzamide
• IUPAC Traditional name: 4-sulfamoyl-N-(thiolan-3-yl)benzamide
• Synonyms: 4-(aminosulfonyl)-N-(tetrahydro-3-thienyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.949716
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2903722
• LogD (pH = 7.4): 0.28930256
• Log P: 0.290386
• Molar Refractivity: 71.9327 cm^3
• Polarizability: 28.193731 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.26
• LOG S: -2.97
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3