N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-sulfamoylbenzamide

• ChemBase ID: 551782
• Molecular Formular: C14H20N2O4S
• Molecular Mass: 312.3846
• Monoisotopic Mass: 312.11437813
• SMILES: S(=O)(=O)(c1ccc(C(=O)N[C@H]2[C@@H](COC)CCC2)cc1)N
• Canonical SMILES: COC[C@H]1CCC[C@H]1NC(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H20N2O4S/c1-20-9-11-3-2-4-13(11)16-14(17)10-5-7-12(8-6-10)21(15,18)19/h5-8,11,13H,2-4,9H2,1H3,(H,16,17)(H2,15,18,19)/t11-,13-/m1/s1
• InChIKey: ZUEXOAZZMZREPQ-DGCLKSJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[(1R*,2S*)-2-(methoxymethyl)cyclopentyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.949862
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6212584
• LogD (pH = 7.4): 0.6201892
• Log P: 0.62127227
• Molar Refractivity: 79.6569 cm^3
• Polarizability: 31.349108 Å^3
• Polar Surface Area: 98.49 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: 0.4
• LOG S: -1.82
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 5