chempirical

Methyl 2-methoxy-5-sulfamoylbenzoate

C9H11NO5SCAS 33045-52-2245.25 g/mol

Open in Covalent MOL file
OOSNH2OOO
EsterEtherSulfonamide

Properties

Molecular formula
C9H11NO5S
Molar mass
245.25 g/mol
Exact mass
245.0358 Da
Melting point
159–160 °C
logP
0.13Crippen estimate
Polar surface area
95.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
33045-52-2
SMILES
COC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIKey
MKDYDRQLKPGNNU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, methyl ester
  • o-Anisic acid, 5-sulfamoyl-, methyl ester
  • Methyl 5-(aminosulfonyl)-2-methoxybenzoate
  • Methyl 5-sulfamoyl-2-methoxybenzoate
  • 4-Methoxy-3-(methoxycarbonyl)benzenesulfonamide

Work with Methyl 2-methoxy-5-sulfamoylbenzoate

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

Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-373 % similar Methyl 2-methoxy-5-(methylsulfonyl)benzoate63484-12-869 % similar 5-(Aminosulfonyl)-2-methoxybenzoic acid22117-85-767 % similar Methyl 5-(ethylsulfonyl)-2-methoxybenzoate62140-67-464 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-056 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-352 % similar Methyl 2-methoxybenzoate606-45-151 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-650 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook