2-amino-N-(pyridin-2-yl)ethane-1-sulfonamide hydrochloride

• ChemBase ID: 273228
• Molecular Formular: C7H12ClN3O2S
• Molecular Mass: 237.70708
• Monoisotopic Mass: 237.03387532
• SMILES: S(=O)(=O)(Nc1ncccc1)CCN.Cl
• Canonical SMILES: NCCS(=O)(=O)Nc1ccccn1.Cl
• InChI: InChI=1S/C7H11N3O2S.ClH/c8-4-6-13(11,12)10-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2,(H,9,10);1H
• InChIKey: HDSVERFJVLXGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-2-yl)ethane-1-sulfonamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(pyridin-2-yl)ethanesulfonamide hydrochloride
• Synonyms: 2-amino-N-(pyridin-2-yl)ethane-1-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD01728694
• PubChem SID: 164329138
• PubChem CID: 21126689

CALCULATED PROPERTIES

• Acid pKa: 7.295596
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3230753
• LogD (pH = 7.4): -1.8839111
• Log P: -1.7316753
• Molar Refractivity: 48.9714 cm^3
• Polarizability: 19.986017 Å^3
• Polar Surface Area: 85.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.426

Product Information

• Purity: 95%