(2-amino-5-sulfamoylphenyl)mercury

• ChemBase ID: 3816
• Molecular Formular: C6H7HgN2O2S
• Molecular Mass: 371.78698
• Monoisotopic Mass: 372.99346647
• SMILES: Nc1ccc(cc1[Hg])S(=O)(=O)N
• Canonical SMILES: Nc1ccc(cc1[Hg])S(=O)(=O)N
• InChI: InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;/h1,3-4H,7H2,(H2,8,9,10)
• InChIKey: KGGLGSZFQPTPPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-sulfamoylphenyl)mercury
• IUPAC Traditional name: (2-amino-5-sulfamoylphenyl)mercury
• Synonyms: 3-Mercuri-4-Aminobenzenesulfonamide

Database IDs

• PubChem SID: 46506786; 160967253
• PubChem CID: 193512

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.056621
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2482264
• LogD (pH = 7.4): -1.2478942
• Log P: -1.2478
• Molar Refractivity: 42.3326 cm^3
• Polarizability: 23.901613 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.5
• LOG S: -1.81
• Solubility (Water): 5.75e+00 g/l

DETAILS

DrugBank - DB04203

Drug information: experimental