N-[(1R,3R)-3-aminocyclopentyl]-3-phenoxybenzene-1-sulfonamide

• ChemBase ID: 773317
• Molecular Formular: C17H20N2O3S
• Molecular Mass: 332.4173
• Monoisotopic Mass: 332.11946351
• SMILES: S(=O)(=O)(N[C@H]1C[C@H](N)CC1)c1cc(Oc2ccccc2)ccc1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NS(=O)(=O)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C17H20N2O3S/c18-13-9-10-14(11-13)19-23(20,21)17-8-4-7-16(12-17)22-15-5-2-1-3-6-15/h1-8,12-14,19H,9-11,18H2/t13-,14-/m1/s1
• InChIKey: PMNWCWCHWXYXSI-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-phenoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-phenoxybenzenesulfonamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3-phenoxybenzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.668345
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9250078
• LogD (pH = 7.4): -0.33174205
• Log P: 1.5649002
• Molar Refractivity: 89.05 cm^3
• Polarizability: 35.93109 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.21
• LOG S: -3.36
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4