N-(2,3-dihydro-1H-inden-4-yl)-3-[(2-hydroxypropyl)sulfamoyl]benzamide

• ChemBase ID: 825817
• Molecular Formular: C19H22N2O4S
• Molecular Mass: 374.45398
• Monoisotopic Mass: 374.13002819
• SMILES: S(=O)(=O)(NCC(O)C)c1cc(C(=O)Nc2c3c(ccc2)CCC3)ccc1
• Canonical SMILES: CC(CNS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc2c1CCC2)O
• InChI: InChI=1S/C19H22N2O4S/c1-13(22)12-20-26(24,25)16-8-2-7-15(11-16)19(23)21-18-10-4-6-14-5-3-9-17(14)18/h2,4,6-8,10-11,13,20,22H,3,5,9,12H2,1H3,(H,21,23)
• InChIKey: OIDMZUPRGSZASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-4-yl)-3-[(2-hydroxypropyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-4-yl)-3-[(2-hydroxypropyl)sulfamoyl]benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-4-yl)-3-{[(2-hydroxypropyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.855518
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.628979
• LogD (pH = 7.4): 2.6276505
• Log P: 2.628996
• Molar Refractivity: 102.2384 cm^3
• Polarizability: 39.011265 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.62
• LOG S: -4.17
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 5