4-[(2-oxopyrrolidin-1-yl)methyl]benzene-1-sulfonamide

• ChemBase ID: 121993
• Molecular Formular: C11H14N2O3S
• Molecular Mass: 254.30546
• Monoisotopic Mass: 254.07251332
• SMILES: S(=O)(=O)(c1ccc(CN2C(=O)CCC2)cc1)N
• Canonical SMILES: O=C1CCCN1Cc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C11H14N2O3S/c12-17(15,16)10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2,(H2,12,15,16)
• InChIKey: UQWGVFXKECEGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-oxopyrrolidin-1-yl)methyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[(2-oxopyrrolidin-1-yl)methyl]benzenesulfonamide
• Synonyms: 4-((2-oxopyrrolidin-1-yl)methyl)benzenesulfonamide

Database IDs

• PubChem SID: 162216346
• PubChem CID: 16394752

CALCULATED PROPERTIES

• Acid pKa: 10.217167
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.02543683
• LogD (pH = 7.4): -0.02601503
• Log P: -0.025429346
• Molar Refractivity: 63.9251 cm^3
• Polarizability: 25.331951 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true