N-cyclopropyl-4-fluorobenzene-1-sulfonamide

• ChemBase ID: 258646
• Molecular Formular: C9H10FNO2S
• Molecular Mass: 215.2446032
• Monoisotopic Mass: 215.04162779
• SMILES: S(=O)(=O)(NC1CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)NC1CC1
• InChI: InChI=1S/C9H10FNO2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2
• InChIKey: QXHJRYPFPZGNNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-fluorobenzene-1-sulfonamide
• IUPAC Traditional name: N-cyclopropyl-4-fluorobenzenesulfonamide
• Synonyms: N-cyclopropyl-4-fluorobenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD02136916
• PubChem SID: 164314556
• PubChem CID: 880363

CALCULATED PROPERTIES

• Acid pKa: 9.749586
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4111974
• LogD (pH = 7.4): 1.4095031
• Log P: 1.4112191
• Molar Refractivity: 50.5402 cm^3
• Polarizability: 20.144506 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 1.72

Product Information

• Purity: 95%