chempirical

Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate

C6H7NO4S2CAS 59337-93-8221.25 g/mol

Open in Covalent MOL file
OOSSH2NOO
EsterSulfonamide

Properties

Molecular formula
C6H7NO4S2
Molar mass
221.25 g/mol
Exact mass
220.9817 Da
Melting point
123–124 °C
logP
0.18Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
59337-93-8
SMILES
COC(=O)c1sccc1S(N)(=O)=O
InChIKey
PMXNPOJHBQDJKS-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)

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Names and synonyms

5 names
  • 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester
  • 3-Sulfamoyl-2-(methoxycarbonyl)thiophene
  • Methyl 3-sulfamoyl-2-thiophenecarboxylate
  • 2-(Methoxycarbonyl)thiophene-3-sulfonamide
  • 3-Sulfamoyl-thiophene-2-carboxylic acid methyl ester

Work with Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-765 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-458 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-356 % similar Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate106820-63-755 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-153 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-445 % similar Methyl 2-methoxy-5-sulfamoylbenzoate33045-52-244 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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