4-amino-N-(4-methylpyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide

• ChemBase ID: 144574
• Molecular Formular: C11H11N4NaO2S
• Molecular Mass: 286.28541
• Monoisotopic Mass: 286.05004089
• SMILES: Cc1ccnc(n1)N([Na])S(=O)(=O)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1nccc(n1)C)[Na]
• InChI: InChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
• InChIKey: BSFJGCCAXDCMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(4-methylpyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-(4-methylpyrimidin-2-yl)-N-sodiobenzenesulfonamide
• Synonyms: 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide; Sulfamerazine sodium salt; 4-氨基-N-(4-甲基-2-嘧啶基)苯磺酰胺; 磺胺甲嘧啶 钠盐

Database IDs

• CAS Number: 127-58-2
• EC Number: 204-851-0
• MDL Number: MFCD00068332
• PubChem SID: 24899446; 162238786
• PubChem CID: 15899899

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6316429
• LogD (pH = 7.4): -0.6315018
• Log P: -0.6315
• Molar Refractivity: 67.9924 cm^3
• Polarizability: 28.007404 Å^3
• Polar Surface Area: 89.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36/38
• Safety Statements: 7-24-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H332
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: C11H11N4O2SNa

DETAILS

Sigma Aldrich - S0800

Packaging
250 g in glass bottle
Quality
Contains residual methanol
Application
Involved in characterization of chirosan membranes for the transport of drugs1,2,3