tert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate

HCID 22567083

Basic information

Standard SMILES
CC(C)(C)OC(=O)N(c1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIKey
FMBRHXYYTLRWCN-UHFFFAOYSA-N
Molecular formula
C24H28IN3O8S2
Average molar mass
677.5 g/mol

Names & identifiers

Preferred name
tert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate
IUPAC
tert-butyl 3-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino]indazole-1-carboxylate

Names & synonyms

SCHEMBL4004176FMBRHXYYTLRWCN-UHFFFAOYSA-Ntert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)-indazole-1-carboxylatetert-butyl 3-iodo-5-(N-tert-butoxycarbonyl-2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate

Database identifiers

PubChem CID
22567083

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
159 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
38

Related reactions

18 records

Linked notes

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