2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodobenzoic acid methyl ester

HCID 67201153
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Basic information

Standard SMILES
COC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12
InChIKey
KXMIEWLWGXYEQM-UHFFFAOYSA-N
Molecular formula
C14H10IN3O4S2
Average molar mass
475.3 g/mol

Names & identifiers

Preferred name
2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodobenzoic acid methyl ester
IUPAC
methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-iodobenzoate

Names & synonyms

SCHEMBL1888301KXMIEWLWGXYEQM-UHFFFAOYSA-N2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodobenzoic acid methyl ester

Database identifiers

PubChem CID
67201153

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
135 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
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Compound notes

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