2-fluoro-5-sulfamoylbenzamide

• ChemBase ID: 236012
• Molecular Formular: C7H7FN2O3S
• Molecular Mass: 218.2054832
• Monoisotopic Mass: 218.01614131
• SMILES: S(=O)(=O)(c1cc(C(=O)N)c(cc1)F)N
• Canonical SMILES: NC(=O)c1cc(ccc1F)S(=O)(=O)N
• InChI: InChI=1S/C7H7FN2O3S/c8-6-2-1-4(14(10,12)13)3-5(6)7(9)11/h1-3H,(H2,9,11)(H2,10,12,13)
• InChIKey: XFEZWXUJMGSLLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-5-sulfamoylbenzamide
• Synonyms: 2-fluoro-5-sulfamoylbenzamide

Database IDs

• MDL Number: MFCD11650004
• PubChem SID: 164291922
• PubChem CID: 43093050

CALCULATED PROPERTIES

• Acid pKa: 9.55305
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.42741495
• LogD (pH = 7.4): -0.43005186
• Log P: -0.4273812
• Molar Refractivity: 47.5107 cm^3
• Polarizability: 18.35469 Å^3
• Polar Surface Area: 103.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.854

Product Information

• Purity: 95%