N-(3-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-benzenesulphonamide

HCID 11497696
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Basic information

Standard SMILES
CC(C)(CCn1cnc(I)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIKey
LRGYCNXSOJDLKL-UHFFFAOYSA-N
Molecular formula
C22H27IN4O3S
Average molar mass
554.4 g/mol

Names & identifiers

Preferred name
N-(3-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-benzenesulphonamide
IUPAC
N-[3-[1-hydroxy-2-[[4-(4-iodoimidazol-1-yl)-2-methylbutan-2-yl]amino]ethyl]phenyl]benzenesulfonamide

Names & synonyms

SCHEMBL1377787LRGYCNXSOJDLKL-UHFFFAOYSA-NN-(3-{1-hydroxy-2-[3-(4-iodimidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-benzenesulphonamideN-(3-{1-hydroxy-2-[3-(4-iodo-imidazol-1-yl)-1,1-dimethyl-propylamino]-ethyl}-phenyl)-benzenesulphonamide

Database identifiers

PubChem CID
11497696

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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