6-amino-N,5-dimethylpyridine-3-sulfonamide

• ChemBase ID: 275840
• Molecular Formular: C7H11N3O2S
• Molecular Mass: 201.24614
• Monoisotopic Mass: 201.05719761
• SMILES: S(=O)(=O)(c1cc(c(nc1)N)C)NC
• Canonical SMILES: CNS(=O)(=O)c1cnc(c(c1)C)N
• InChI: InChI=1S/C7H11N3O2S/c1-5-3-6(4-10-7(5)8)13(11,12)9-2/h3-4,9H,1-2H3,(H2,8,10)
• InChIKey: NAZGSQNXNMTWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N,5-dimethylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-amino-N,5-dimethylpyridine-3-sulfonamide
• Synonyms: 6-amino-N,5-dimethylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD19381962
• PubChem SID: 164331750
• PubChem CID: 54593887

CALCULATED PROPERTIES

• Polarizability: 19.516151 Å^3
• Polar Surface Area: 85.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 10.316598
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.1377106
• LogD (pH = 7.4): -0.13625747
• Log P: -0.1357668
• Molar Refractivity: 51.0108 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.681

Product Information

• Purity: 95%