N-(2-aminophenyl)-1-(2,2-dichlorocyclopropyl)methanesulfonamide

• ChemBase ID: 259187
• Molecular Formular: C10H12Cl2N2O2S
• Molecular Mass: 295.18548
• Monoisotopic Mass: 293.99965399
• SMILES: S(=O)(=O)(Nc1c(N)cccc1)CC1C(C1)(Cl)Cl
• Canonical SMILES: Nc1ccccc1NS(=O)(=O)CC1CC1(Cl)Cl
• InChI: InChI=1S/C10H12Cl2N2O2S/c11-10(12)5-7(10)6-17(15,16)14-9-4-2-1-3-8(9)13/h1-4,7,14H,5-6,13H2
• InChIKey: RYEUUKLAGQYQJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-1-(2,2-dichlorocyclopropyl)methanesulfonamide
• IUPAC Traditional name: N-(2-aminophenyl)-1-(2,2-dichlorocyclopropyl)methanesulfonamide
• Synonyms: N-(2-aminophenyl)-1-(2,2-dichlorocyclopropyl)methanesulfonamide

Database IDs

• MDL Number: MFCD11857980
• PubChem SID: 164315097
• PubChem CID: 45791402

CALCULATED PROPERTIES

• Acid pKa: 10.143095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1757983
• LogD (pH = 7.4): 1.1785595
• Log P: 1.179366
• Molar Refractivity: 69.5242 cm^3
• Polarizability: 27.203205 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.963

Product Information

• Purity: 95%