sodium acetyl(4-aminobenzenesulfonyl)azanide

• ChemBase ID: 312946
• Molecular Formular: C8H9N2NaO3S
• Molecular Mass: 236.22343
• Monoisotopic Mass: 236.02315744
• SMILES: c1c(ccc(c1)S(=O)(=O)[N-]C(=O)C)N.[Na+]
• Canonical SMILES: CC(=O)[N-]S(=O)(=O)c1ccc(cc1)N.[Na+]
• InChI: InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1
• InChIKey: PQMSFAORUFMASU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium acetyl(4-aminobenzenesulfonyl)azanide
• IUPAC Traditional name: sodium sulfacetamide(1-)
• Synonyms: Sulfacetamide Sodium

Database IDs

• CAS Number: 127-56-0

CALCULATED PROPERTIES

• Acid pKa: 4.2999835
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0395306
• LogD (pH = 7.4): -1.2013199
• Log P: -0.26104107
• Molar Refractivity: 51.6822 cm^3
• Polarizability: 20.292078 Å^3
• Polar Surface Area: 86.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Autophagy

Product Information

• Salt Data: Sodium