N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide

• ChemBase ID: 239592
• Molecular Formular: C7H10N2O3S
• Molecular Mass: 202.2309
• Monoisotopic Mass: 202.04121319
• SMILES: S(=O)(=O)(c1c[nH]c(=O)cc1)N(C)C
• Canonical SMILES: O=c1ccc(c[nH]1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C7H10N2O3S/c1-9(2)13(11,12)6-3-4-7(10)8-5-6/h3-5H,1-2H3,(H,8,10)
• InChIKey: GBHKMZPHZNLXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-6-oxo-1H-pyridine-3-sulfonamide
• Synonyms: N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD06357905
• PubChem SID: 164295502
• PubChem CID: 2512776

CALCULATED PROPERTIES

• Acid pKa: 10.86044
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0252051
• LogD (pH = 7.4): -1.0253367
• Log P: -1.0252035
• Molar Refractivity: 49.908 cm^3
• Polarizability: 19.029129 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): -1.027

Product Information

• Purity: 95%