5-amino-2-hydroxybenzene-1-sulfonamide

• ChemBase ID: 243965
• Molecular Formular: C6H8N2O3S
• Molecular Mass: 188.20432
• Monoisotopic Mass: 188.02556313
• SMILES: S(=O)(=O)(c1cc(N)ccc1O)N
• Canonical SMILES: Nc1ccc(c(c1)S(=O)(=O)N)O
• InChI: InChI=1S/C6H8N2O3S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3,9H,7H2,(H2,8,10,11)
• InChIKey: OTVYEDSEHZPYBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-hydroxybenzene-1-sulfonamide
• IUPAC Traditional name: 5-amino-2-hydroxybenzenesulfonamide
• Synonyms: 5-amino-2-hydroxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD16999393
• PubChem SID: 164299875
• PubChem CID: 19822903

CALCULATED PROPERTIES

• Acid pKa: 8.012323
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.5586579
• LogD (pH = 7.4): -0.6474375
• Log P: -0.55321467
• Molar Refractivity: 44.8972 cm^3
• Polarizability: 17.446985 Å^3
• Polar Surface Area: 106.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.863

Product Information

• Purity: 95%