N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

Base Information

• Chemical Name: N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
• CAS No.: 402713-80-8
• Molecular Formula: C18H21Cl2N3O4S
• Molecular Weight: 446.34800
• UNII: 5BH7TN3FWY
• DSSTox Substance ID: DTXSID60437717
• Wikipedia: SB-399885
• Wikidata: Q856068
• Pharos Ligand ID: G1FQFVKKMGKL
• ChEMBL ID: CHEMBL1210710
• Mol file: 402713-80-8.mol

Synonyms:SB 399885;SB-399885;SB399885

Chemical Property of N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

Chemical Property:

• PSA: 88.28000
• LogP: 4.76860
• Storage Temp.: Desiccate at RT
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 445.0629827
• Heavy Atom Count: 28
• Complexity: 600

Purity/Quality:

98%Min ^*data from raw suppliers

SB 399885 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)Cl)Cl)OC)N3CCNCC3
• Uses: SB 399885 Hydrochloride is a selective 5-HT6 receptor antagonist.