3-[(cyclopentylmethyl)sulfamoyl]-N-(1,4-dioxan-2-ylmethyl)benzamide

• ChemBase ID: 831156
• Molecular Formular: C18H26N2O5S
• Molecular Mass: 382.47444
• Monoisotopic Mass: 382.15624294
• SMILES: S(=O)(=O)(c1cc(C(=O)NCC2OCCOC2)ccc1)NCC1CCCC1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCC1CCCC1)NCC1COCCO1
• InChI: InChI=1S/C18H26N2O5S/c21-18(19-12-16-13-24-8-9-25-16)15-6-3-7-17(10-15)26(22,23)20-11-14-4-1-2-5-14/h3,6-7,10,14,16,20H,1-2,4-5,8-9,11-13H2,(H,19,21)
• InChIKey: NFAXPJDEQFAZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(cyclopentylmethyl)sulfamoyl]-N-(1,4-dioxan-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-(cyclopentylmethylsulfamoyl)-N-(1,4-dioxan-2-ylmethyl)benzamide
• Synonyms: 3-{[(cyclopentylmethyl)amino]sulfonyl}-N-(1,4-dioxan-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.883248
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3412586
• LogD (pH = 7.4): 1.3400124
• Log P: 1.3412747
• Molar Refractivity: 98.0199 cm^3
• Polarizability: 38.686913 Å^3
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.75
• LOG S: -3.48
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 6