2-chloro-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

• ChemBase ID: 253861
• Molecular Formular: C11H15ClN2O3S
• Molecular Mass: 290.7664
• Monoisotopic Mass: 290.04919103
• SMILES: S(=O)(=O)(c1ccc(C(NC(=O)C(Cl)C)C)cc1)N
• Canonical SMILES: CC(c1ccc(cc1)S(=O)(=O)N)NC(=O)C(Cl)C
• InChI: InChI=1S/C11H15ClN2O3S/c1-7(12)11(15)14-8(2)9-3-5-10(6-4-9)18(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
• InChIKey: AYMWXTIHOJTITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
• IUPAC Traditional name: 2-chloro-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
• Synonyms: 2-chloro-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

Database IDs

• MDL Number: MFCD12566671
• PubChem SID: 164309771
• PubChem CID: 43424725

CALCULATED PROPERTIES

• Acid pKa: 10.176648
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0465666
• LogD (pH = 7.4): 1.0459317
• Log P: 1.0465747
• Molar Refractivity: 69.799 cm^3
• Polarizability: 27.928848 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.564

Product Information

• Purity: 95%