4-(4-Formylpiperazine-1-sulfonyl)-N-(2-methylpropyl)benzene-1-sulfonamide

Base Information

• Chemical Name: 4-(4-Formylpiperazine-1-sulfonyl)-N-(2-methylpropyl)benzene-1-sulfonamide
• CAS No.: 604761-98-0
• Molecular Formula: C15H23N3O5S2
• Molecular Weight: 389.49022
• DSSTox Substance ID: DTXSID60362934
• Wikidata: Q82146455
• Mol file: 604761-98-0.mol

Synonyms:604761-98-0;4-(4-Formylpiperazine-1-sulfonyl)-N-(2-methylpropyl)benzene-1-sulfonamide;DTXSID60362934;AKOS000780993;SR-01000328675;SR-01000328675-1;4-(4-Formylpiperazine-1-sulfonyl)-N-isobutylbenzenesulfonamide

Chemical Property of 4-(4-Formylpiperazine-1-sulfonyl)-N-(2-methylpropyl)benzene-1-sulfonamide

Chemical Property:

• Boiling Point: 590.3±60.0 °C(Predicted)
• PKA: 10.70±0.50(Predicted)
• PSA: 120.62000
• Density: 1.376±0.06 g/cm3(Predicted)
• LogP: 3.14780
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 389.10791319
• Heavy Atom Count: 25
• Complexity: 636

Purity/Quality:

4-[(4-FORMYL-1-PIPERAZINYL)SULFONYL]-N-(2-METHYLPROPYL)-BENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O

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