1-(2,4,6-Trimethylbenzenesulphonyl)-1H-indazole-3-carboxylic acid

HCID 12106070
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Basic information

Standard SMILES
Cc1cc(C)c(S(=O)(=O)n2nc(C(=O)O)c3ccccc32)c(C)c1
InChIKey
HJSRQJDIKAYHOI-UHFFFAOYSA-N
Molecular formula
C17H16N2O4S
Average molar mass
344.4 g/mol

Names & identifiers

Preferred name
1-(2,4,6-Trimethylbenzenesulphonyl)-1H-indazole-3-carboxylic acid
IUPAC
1-(2,4,6-trimethylphenyl)sulfonylindazole-3-carboxylic acid

Names & synonyms

SCHEMBL4532132HJSRQJDIKAYHOI-UHFFFAOYSA-N1-(2,4,6-Trimethylbenzenesulphonyl)-1H-indazole-3-carboxylic acid

Database identifiers

PubChem CID
12106070

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
97.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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