N-(4-aminobenzenesulfonyl)-N-sodioacetamide hydrate

• ChemBase ID: 152876
• Molecular Formular: C8H11N2NaO4S
• Molecular Mass: 254.23871
• Monoisotopic Mass: 254.03372212
• SMILES: CC(=O)N([Na])S(=O)(=O)c1ccc(cc1)N.O
• Canonical SMILES: [Na]N(S(=O)(=O)c1ccc(cc1)N)C(=O)C.O
• InChI: InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1
• InChIKey: IHCDKJZZFOUARO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminobenzenesulfonyl)-N-sodioacetamide hydrate
• IUPAC Traditional name: N-(4-aminobenzenesulfonyl)-N-sodioacetamide hydrate
• Synonyms: N-(4-Aminophenylsulfonyl)acetamide sodium salt; N1-Acetylsulfanilamide sodium salt; Sodium sulfacetamide; Sulfacetamide sodium salt hydrate; N-(4-氨基苯磺酰)乙酰胺 钠盐; N1-乙酰磺胺 钠盐; 磺胺乙酰钠; 磺胺醋酰 钠盐 水合物

Database IDs

• CAS Number: 127-56-0
• EC Number: 204-848-4
• MDL Number: MFCD00149555
• Beilstein Number: 4220398
• PubChem SID: 162247019; 24888499
• PubChem CID: 6419954

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2794824
• LogD (pH = 7.4): -1.2793022
• Log P: -1.2793
• Molar Refractivity: 51.6822 cm^3
• Polarizability: 22.230747 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AC8480000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (dried material, T)
• Impurities: ~7% water
• Empirical Formula (Hill Notation): C8H9N2NaO3S · xH2O

DETAILS

Sigma Aldrich - 86020

Biochem/physiol Actions
Sulfonamide antibiotic that blocks the synthesis of dihydrofolic acid by inhibiting the enzyme dihydropteroate synthase.Mode of Action: Inhibits folic acid synthesis in prokaryotes.Anti-microbial Spectrum: Gram positive, Gram negative, ChlamydiaMode of Resistance: Alteration of dihydropteroate synthase or alternative pathway for folic acid synthesis.
Packaging
100, 500 g in poly bottle