N-cyclopropyl-N-(piperidin-4-yl)benzenesulfonamide

• ChemBase ID: 10211
• Molecular Formular: C14H20N2O2S
• Molecular Mass: 280.3858
• Monoisotopic Mass: 280.12454889
• SMILES: c1cccc(c1)S(=O)(=O)N(C1CCNCC1)C1CC1
• Canonical SMILES: O=S(=O)(N(C1CC1)C1CCNCC1)c1ccccc1
• InChI: InChI=1S/C14H20N2O2S/c17-19(18,14-4-2-1-3-5-14)16(12-6-7-12)13-8-10-15-11-9-13/h1-5,12-13,15H,6-11H2
• InChIKey: GADOCUCQRAEUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-(piperidin-4-yl)benzenesulfonamide
• IUPAC Traditional name: N-cyclopropyl-N-(piperidin-4-yl)benzenesulfonamide
• Synonyms: 4-[Cyclopropyl(phenylsulphonyl)amino]piperidine; N-Cyclopropyl-N-(piperidin-4-yl)benzenesulphonamide; N-Cyclopropyl-N-(4-piperidinyl)benzenesulfonamide

Database IDs

• CAS Number: 387350-82-5
• MDL Number: MFCD01567982
• PubChem SID: 160973518
• PubChem CID: 2735904

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0840776
• LogD (pH = 7.4): -1.3971035
• Log P: 1.1359514
• Molar Refractivity: 75.3769 cm^3
• Polarizability: 30.401262 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >150 (dec.)°C; >150°C(dec)

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false