4-(5-bromopyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 62591
• Molecular Formular: C11H17BrN4O2S
• Molecular Mass: 349.24728
• Monoisotopic Mass: 348.0255588
• SMILES: S(=O)(=O)(N1CCC(c2ncc(nc2)Br)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)c1ncc(nc1)Br)C
• InChI: InChI=1S/C11H17BrN4O2S/c1-15(2)19(17,18)16-5-3-9(4-6-16)10-7-14-11(12)8-13-10/h7-9H,3-6H2,1-2H3
• InChIKey: QDECAACCKVRBNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromopyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-(5-bromopyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-(5-Bromo-pyrazin-2-yl)-piperidine-1-sulfonic acid dimethylamide

Database IDs

• MDL Number: MFCD19691646
• PubChem SID: 162028330
• PubChem CID: 66510064

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.15659901
• LogD (pH = 7.4): -0.15659754
• Log P: -0.15659752
• Molar Refractivity: 76.9673 cm^3
• Polarizability: 30.530407 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false