5-[(2-hydroxyethyl)(methyl)sulfamoyl]-2-methoxybenzoic acid

• ChemBase ID: 311684
• Molecular Formular: C11H15NO6S
• Molecular Mass: 289.3049
• Monoisotopic Mass: 289.06200821
• SMILES: S(=O)(=O)(c1cc(C(=O)O)c(cc1)OC)N(CCO)C
• Canonical SMILES: OCCN(S(=O)(=O)c1ccc(c(c1)C(=O)O)OC)C
• InChI: InChI=1S/C11H15NO6S/c1-12(5-6-13)19(16,17)8-3-4-10(18-2)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
• InChIKey: UVZGQTDQOZDFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-hydroxyethyl)(methyl)sulfamoyl]-2-methoxybenzoic acid
• IUPAC Traditional name: 5-[(2-hydroxyethyl)(methyl)sulfamoyl]-2-methoxybenzoic acid
• Synonyms: 5-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}-2-methoxybenzoic acid

Database IDs

• CAS Number: 327093-76-5
• MDL Number: MFCD02659567

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.27648
• LogD (pH = 7.4): -3.5730307
• Log P: -0.16356166
• Molar Refractivity: 68.021 cm^3
• Polarizability: 26.76827 Å^3
• Polar Surface Area: 104.14 Å^2