5-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}pyridine-2-carboxylic acid

HCID 57732082
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Basic information

CAS
1063733-26-5
Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(C(=O)O)nc2)c(OC)c1
InChIKey
QPLKPGBMQRVZBI-UHFFFAOYSA-N
Molecular formula
C18H17N3O6S2
Average molar mass
435.5 g/mol
Monoisotopic mass
435.05587762

Names & identifiers

Preferred name
5-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}pyridine-2-carboxylic acid
IUPAC
5-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL3154173QPLKPGBMQRVZBI-UHFFFAOYSA-NDTXSID7011265215-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}pyridine-2-carboxylic acid1063733-26-55-[[[(2,4-Dimethoxyphenyl)methyl]-2-thiazolylamino]sulfonyl]-2-pyridinecarboxylic acid5-{[(2,4-Dimethoxyphenyl)methyl](1,3-thiazol-2-yl)sulfamoyl}pyridine-2-carboxylic acid

Database identifiers

CAS
1063733-26-5
PubChem CID
57732082
DTXSID
DTXSID701126521

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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