1-[2-({[5-(Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium

HCID 217049

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 742001-51-0
Standard SMILES: CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)N(C)C)cc2)c(S(=O)(=O)NCC[n+]2ccccc2)c1
InChIKey: DLIRUVZALPTEMG-UHFFFAOYSA-N
Molecular formula: C25H33N6O4S2+
Average molar mass: 545.7 g/mol
Monoisotopic mass: 545.2004709

Names & identifiers

Preferred name: 1-[2-({[5-(Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium
IUPAC: 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide

Names & synonyms

NCGC00182035-01CHEMBL3305896DTXSID102739451-[2-({[5-(Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium742001-51-01-{2-[5-(Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}benzene-1-sulfonamido]ethyl}pyridin-1-ium

Database identifiers

CAS: 742001-51-0
PubChem CID: 217049
DTXSID: DTXSID10273945
ChEMBL: CHEMBL3305896

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 132 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 12
Heavy atoms: 37
Formal charge: 1
Complexity: 914

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…