N-cyclopentyl-3-[methyl(thian-4-yl)sulfamoyl]benzamide

• ChemBase ID: 405446
• Molecular Formular: C18H26N2O3S2
• Molecular Mass: 382.54064
• Monoisotopic Mass: 382.1384847
• SMILES: S(=O)(=O)(N(C1CCSCC1)C)c1cc(C(=O)NC2CCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(C1CCSCC1)C)NC1CCCC1
• InChI: InChI=1S/C18H26N2O3S2/c1-20(16-9-11-24-12-10-16)25(22,23)17-8-4-5-14(13-17)18(21)19-15-6-2-3-7-15/h4-5,8,13,15-16H,2-3,6-7,9-12H2,1H3,(H,19,21)
• InChIKey: FRKBFORXAPLART-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-[methyl(thian-4-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclopentyl-3-[methyl(thian-4-yl)sulfamoyl]benzamide
• Synonyms: N-cyclopentyl-3-{[methyl(tetrahydro-2H-thiopyran-4-yl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113524
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.308307
• LogD (pH = 7.4): 2.3083072
• Log P: 2.3083072
• Molar Refractivity: 102.8507 cm^3
• Polarizability: 40.309654 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -4.65
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4