1-Piperazinecarboxylic acid,4-[2-iodo-1-(phenylsulfonyl)-1h-indol-4-yl]-,1,1-dimethylethyl ester

HCID 22015330

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(I)n3S(=O)(=O)c2ccccc2)CC1
InChIKey
LYSHDIRLYBYQKD-UHFFFAOYSA-N
Molecular formula
C23H26IN3O4S
Average molar mass
567.4 g/mol

Names & identifiers

Preferred name
1-Piperazinecarboxylic acid,4-[2-iodo-1-(phenylsulfonyl)-1h-indol-4-yl]-,1,1-dimethylethyl ester
IUPAC
tert-butyl 4-[1-(benzenesulfonyl)-2-iodoindol-4-yl]piperazine-1-carboxylate

Names & synonyms

1-piperazinecarboxylic acid,4-[2-iodo-1-(phenylsulfonyl)-1h-indol-4-yl]-,1,1-dimethylethyl ester412049-39-9SCHEMBL4315339LYSHDIRLYBYQKD-UHFFFAOYSA-Ntert-Butyl 4-[2-iodo-1-(phenylsulfonyl)-1H-indol-4-yl]-1-piperazinecarboxylate

Database identifiers

PubChem CID
22015330

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
80.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

5 records

Compound notes

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