8-Methoxy-7-sulfamoyl-1,4-benzodioxane-5-carboxylic acid

HCID 20544690

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1c(S(N)(=O)=O)cc(C(=O)O)c2c1OCCO2
InChIKey: DAZVOZDOZMSYIL-UHFFFAOYSA-N
Molecular formula: C10H11NO7S
Average molar mass: 289.26 g/mol
Monoisotopic mass: 289.02562286

Names & identifiers

Preferred name: 8-Methoxy-7-sulfamoyl-1,4-benzodioxane-5-carboxylic acid
IUPAC: 5-methoxy-6-sulfamoyl-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid

Names & synonyms

SCHEMBL11269317DAZVOZDOZMSYIL-UHFFFAOYSA-N8-methoxy-7-sulfamoyl-1,4-benzodioxane-5-carboxylic acid

Database identifiers

PubChem CID: 20544690

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 134 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 445

Related reactions

11 records

New reaction record

HRID 127427 reaction equation

HRID 127427As productuspto-grants-1981_03

HRID 127428 reaction equation

HRID 127428As reactantuspto-grants-1981_03

HRID 1212496 reaction equation

HRID 1212496As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1413167 reaction equation

HRID 1413167As productuspto-grants-1981_02

HRID 1660018 reaction equation

HRID 1660018As productuspto-grants-1981_12

HRID 1660019 reaction equation

HRID 1660019As reactantuspto-grants-1981_12

HRID 2052647 reaction equation

HRID 2052647As reactantuspto-grants-1980_01

HRID 2285488 reaction equation

HRID 2285488As productuspto-grants-1982_04

Compound notes

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