2-(3-chloropyrazin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

• ChemBase ID: 62061
• Molecular Formular: C10H15ClN4O2S
• Molecular Mass: 290.7697
• Monoisotopic Mass: 290.06042442
• SMILES: S(=O)(=O)(N1C(c2c(nccn2)Cl)CCC1)N(C)C
• Canonical SMILES: Clc1nccnc1C1CCCN1S(=O)(=O)N(C)C
• InChI: InChI=1S/C10H15ClN4O2S/c1-14(2)18(16,17)15-7-3-4-8(15)9-10(11)13-6-5-12-9/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: CDERBOGGGVYRRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloropyrazin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
• IUPAC Traditional name: 2-(3-chloropyrazin-2-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
• Synonyms: 2-(3-Chloro-pyrazin-2-yl)-pyrrolidine-1-sulfonic acid dimethylamide

Database IDs

• MDL Number: MFCD19691595
• PubChem SID: 162027800
• PubChem CID: 66509953

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.28402525
• LogD (pH = 7.4): -0.2840239
• Log P: -0.28402388
• Molar Refractivity: 69.3574 cm^3
• Polarizability: 27.749546 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