4-sulfamoyl-N-[1-(thiophen-2-yl)propan-2-yl]benzamide

• ChemBase ID: 540662
• Molecular Formular: C14H16N2O3S2
• Molecular Mass: 324.41844
• Monoisotopic Mass: 324.06023438
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC(Cc2sccc2)C)cc1)N
• Canonical SMILES: CC(NC(=O)c1ccc(cc1)S(=O)(=O)N)Cc1cccs1
• InChI: InChI=1S/C14H16N2O3S2/c1-10(9-12-3-2-8-20-12)16-14(17)11-4-6-13(7-5-11)21(15,18)19/h2-8,10H,9H2,1H3,(H,16,17)(H2,15,18,19)
• InChIKey: OSMKJOZSICLJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-sulfamoyl-N-[1-(thiophen-2-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 4-sulfamoyl-N-[1-(thiophen-2-yl)propan-2-yl]benzamide
• Synonyms: 4-(aminosulfonyl)-N-[1-methyl-2-(2-thienyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.949944
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9961699
• LogD (pH = 7.4): 1.9951009
• Log P: 1.9961836
• Molar Refractivity: 82.9777 cm^3
• Polarizability: 32.25741 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.61
• LOG S: -3.8
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 5