N-[4-(piperidine-1-sulfonyl)phenyl]acetamide

• ChemBase ID: 301484
• Molecular Formular: C13H18N2O3S
• Molecular Mass: 282.35862
• Monoisotopic Mass: 282.10381345
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C13H18N2O3S/c1-11(16)14-12-5-7-13(8-6-12)19(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)
• InChIKey: TVEBRNUNWHDRLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
• Synonyms: 4'-(1-Piperidinylsulfonyl)acetanilide

Database IDs

• CAS Number: 5702-82-9
• EC Number: 227-187-3
• MDL Number: MFCD00577466

CALCULATED PROPERTIES

• Acid pKa: 13.478736
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1147052
• LogD (pH = 7.4): 1.1147048
• Log P: 1.1147052
• Molar Refractivity: 75.0143 cm^3
• Polarizability: 28.987774 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-116°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%