4-chloro-N-cyclopropyl-N-(piperidin-4-yl)benzene-1-sulfonamide

• ChemBase ID: 10210
• Molecular Formular: C14H19ClN2O2S
• Molecular Mass: 314.83086
• Monoisotopic Mass: 314.08557654
• SMILES: c1c(ccc(c1)S(=O)(=O)N(C1CCNCC1)C1CC1)Cl
• Canonical SMILES: Clc1ccc(cc1)S(=O)(=O)N(C1CC1)C1CCNCC1
• InChI: InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
• InChIKey: VPHDHADTKGTAEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-cyclopropyl-N-(piperidin-4-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-chloro-N-cyclopropyl-N-(piperidin-4-yl)benzenesulfonamide
• Synonyms: 4-Chloro-N-cyclopropyl-N-(4-piperidinyl)benzenesulphonamide; 4-Chloro-N-cyclopropyl-N-(4-piperidinyl)benzene-sulfonamide

Database IDs

• CAS Number: 180200-86-6
• MDL Number: MFCD01567991
• PubChem SID: 160973517
• PubChem CID: 2735724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4800329
• LogD (pH = 7.4): -0.7930589
• Log P: 1.7399961
• Molar Refractivity: 80.1817 cm^3
• Polarizability: 32.298378 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-114°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 91%