N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-sulfamoylbenzamide

• ChemBase ID: 312828
• Molecular Formular: C15H23N3O4S
• Molecular Mass: 341.42582
• Monoisotopic Mass: 341.14092723
• SMILES: c1cc(c(cc1S(=O)(=O)N)C(=O)NC[C@H]1N(CCC1)CC)OC
• Canonical SMILES: CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N
• InChI: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
• InChIKey: BGRJTUBHPOOWDU-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-sulfamoylbenzamide
• IUPAC Traditional name: abilit
• Synonyms: Levosulpiride (Levogastrol)

Database IDs

• CAS Number: 23672-07-3

CALCULATED PROPERTIES

• Acid pKa: 10.239752
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4638894
• LogD (pH = 7.4): -0.7005867
• Log P: 0.21877044
• Molar Refractivity: 88.6331 cm^3
• Polarizability: 34.695236 Å^3
• Polar Surface Area: 101.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Dopamine Receptor

Product Information

• Salt Data: Free Base