4-amino-N-(4,6-dimethylpyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide

• ChemBase ID: 104655
• Molecular Formular: C12H13N4NaO2S
• Molecular Mass: 300.31199
• Monoisotopic Mass: 300.06569096
• SMILES: Cc1cc(C)nc(n1)N([Na])S(=O)(=O)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1nc(C)cc(n1)C)[Na]
• InChI: InChI=1S/C12H13N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1
• InChIKey: NGIVTUVVBWOTNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-N-sodiobenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)-N-sodiobenzenesulfonamide
• Synonyms: 4-Amino-N-[4,6-dimethyl-2-pyrimidinyl]benzenesulfonamide; SULFAMETHAZINE SODIUM SALT

Database IDs

• CAS Number: 1981-58-4
• EC Number: 217-840-0
• PubChem SID: 162091957
• PubChem CID: 13456556

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.46104133
• LogD (pH = 7.4): -0.46090177
• Log P: -0.4609
• Molar Refractivity: 72.5839 cm^3
• Polarizability: 29.763712 Å^3
• Polar Surface Area: 89.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C
• RTECS: WO9300000

DETAILS

MP Biomedicals - 02156709

Sodium Salt