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

• ChemBase ID: 104654
• Molecular Formular: C12H13N4NaO4S
• Molecular Mass: 332.31079
• Monoisotopic Mass: 332.0555202
• SMILES: COc1nc(OC)nc(c1)N([Na])S(=O)(=O)c1ccc(N)cc1
• Canonical SMILES: COc1nc(OC)nc(c1)N(S(=O)(=O)c1ccc(cc1)N)[Na]
• InChI: InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1
• InChIKey: DQDZQHMCPDUUPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1037-50-9
• EC Number: 213-859-3
• PubChem SID: 162092794
• PubChem CID: 13384041

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.089571744
• LogD (pH = 7.4): 0.08969838
• Log P: 0.0897
• Molar Refractivity: 76.9543 cm^3
• Polarizability: 31.361034 Å^3
• Polar Surface Area: 107.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02156707

Sodium Salt