2-chloro-N-{2-[cyclohexyl(methyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 251230
• Molecular Formular: C15H21ClN2O3S
• Molecular Mass: 344.85684
• Monoisotopic Mass: 344.09614122
• SMILES: S(=O)(=O)(c1c(NC(=O)CCl)cccc1)N(C1CCCCC1)C
• Canonical SMILES: ClCC(=O)Nc1ccccc1S(=O)(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C15H21ClN2O3S/c1-18(12-7-3-2-4-8-12)22(20,21)14-10-6-5-9-13(14)17-15(19)11-16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,19)
• InChIKey: BFUQIZALWNPWCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{2-[cyclohexyl(methyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: 2-chloro-N-{2-[cyclohexyl(methyl)sulfamoyl]phenyl}acetamide
• Synonyms: 2-chloro-N-(2-{[cyclohexyl(methyl)amino]sulfonyl}phenyl)acetamide

Database IDs

• MDL Number: MFCD06673454
• PubChem SID: 164307140
• PubChem CID: 4840964

CALCULATED PROPERTIES

• Acid pKa: 11.473384
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.600953
• LogD (pH = 7.4): 2.6009185
• Log P: 2.6009533
• Molar Refractivity: 88.6397 cm^3
• Polarizability: 34.523758 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.46

Product Information

• Purity: 95%