4-[4-(1,3-Benzothiazol-2-yl)piperidine-1-sulfonyl]-N,N-diethylbenzene-1-sulfonamide

Base Information

• Chemical Name: 4-[4-(1,3-Benzothiazol-2-yl)piperidine-1-sulfonyl]-N,N-diethylbenzene-1-sulfonamide
• CAS No.: 606082-97-7
• Molecular Formula: C22H27N3O4S3
• Molecular Weight: 493.66248
• DSSTox Substance ID: DTXSID10362929
• Wikidata: Q82146449
• Mol file: 606082-97-7.mol

Synonyms:606082-97-7;DTXSID10362929;AKOS000752704;4-[4-(1,3-Benzothiazol-2-yl)piperidine-1-sulfonyl]-N,N-diethylbenzene-1-sulfonamide;4-(4-Benzothiazol-2-ylpiperidine-1-sulfonyl)-N,N-diethylbenzenesulfonamide

Chemical Property of 4-[4-(1,3-Benzothiazol-2-yl)piperidine-1-sulfonyl]-N,N-diethylbenzene-1-sulfonamide

Chemical Property:

• PSA: 132.65000
• LogP: 5.99460
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 493.11636987
• Heavy Atom Count: 32
• Complexity: 820

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3