N,N-dimethyl-1H-imidazole-4-sulfonamide

• ChemBase ID: 275001
• Molecular Formular: C5H9N3O2S
• Molecular Mass: 175.20886
• Monoisotopic Mass: 175.04154754
• SMILES: S(=O)(=O)(c1nc[nH]c1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1nc[nH]c1)C
• InChI: InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-4-7-5/h3-4H,1-2H3,(H,6,7)
• InChIKey: LBUFCZMUMBMNFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1H-imidazole-4-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-1H-imidazole-4-sulfonamide
• Synonyms: N,N-dimethyl-1H-imidazole-4-sulfonamide

Database IDs

• MDL Number: MFCD18839049
• PubChem SID: 164330911
• PubChem CID: 54593459

CALCULATED PROPERTIES

• Acid pKa: 10.574983
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.49843845
• LogD (pH = 7.4): -0.49767917
• Log P: -0.49738377
• Molar Refractivity: 41.2776 cm^3
• Polarizability: 16.220406 Å^3
• Polar Surface Area: 66.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.549

Product Information

• Purity: 95%