2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

• ChemBase ID: 251711
• Molecular Formular: C11H14Cl2N2O3S
• Molecular Mass: 325.21146
• Monoisotopic Mass: 324.01021868
• SMILES: S(=O)(=O)(c1cc(NC(=O)C(Cl)C)ccc1Cl)N(C)C
• Canonical SMILES: O=C(C(Cl)C)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl
• InChI: InChI=1S/C11H14Cl2N2O3S/c1-7(12)11(16)14-8-4-5-9(13)10(6-8)19(17,18)15(2)3/h4-7H,1-3H3,(H,14,16)
• InChIKey: MAUYFAOQAKMIGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
• IUPAC Traditional name: 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
• Synonyms: 2-chloro-N-{4-chloro-3-[(dimethylamino)sulfonyl]phenyl}propanamide

Database IDs

• MDL Number: MFCD09040362
• PubChem SID: 164307621
• PubChem CID: 16226974

CALCULATED PROPERTIES

• Acid pKa: 12.884083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9744918
• LogD (pH = 7.4): 1.9744904
• Log P: 1.9744918
• Molar Refractivity: 76.9242 cm^3
• Polarizability: 29.890408 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.461

Product Information

• Purity: 95%