N-(2-amino-4-chlorophenyl)-2-fluorobenzene-1-sulfonamide

• ChemBase ID: 256057
• Molecular Formular: C12H10ClFN2O2S
• Molecular Mass: 300.7364032
• Monoisotopic Mass: 300.01355447
• SMILES: S(=O)(=O)(c1c(F)cccc1)Nc1c(cc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(c(c1)N)NS(=O)(=O)c1ccccc1F
• InChI: InChI=1S/C12H10ClFN2O2S/c13-8-5-6-11(10(15)7-8)16-19(17,18)12-4-2-1-3-9(12)14/h1-7,16H,15H2
• InChIKey: RNOYUXYDFGJNHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-chlorophenyl)-2-fluorobenzene-1-sulfonamide
• IUPAC Traditional name: N-(2-amino-4-chlorophenyl)-2-fluorobenzenesulfonamide
• Synonyms: N-(2-amino-4-chlorophenyl)-2-fluorobenzenesulfonamide

Database IDs

• MDL Number: MFCD09043799
• PubChem SID: 164311967
• PubChem CID: 16771501

CALCULATED PROPERTIES

• Acid pKa: 6.620985
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3502362
• LogD (pH = 7.4): 1.7596145
• Log P: 2.3787317
• Molar Refractivity: 72.6118 cm^3
• Polarizability: 27.955944 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%