CHEBI:108421 - 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid

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ChEBI Name 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid
ChEBI ID CHEBI:108421
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H13NO7S
Net Charge 0
Average Mass 351.333
Monoisotopic Mass 351.04127
InChI InChI=1S/C15H13NO7S/c1-21-12-5-3-10(7-11(12)15(17)18)24(19,20)16-9-2-4-13-14(6-9)23-8-22-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKey CBTNVZLUXBMTAM-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid (CHEBI:108421) is a methoxybenzoic acid (CHEBI:25238)
Manual Xref Database
LSM-19797 LINCS
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