Ethyl 2-methoxy-5-sulfonamidobenzoate

C₁₀H₁₃NO₅SCAS 33045-53-3259.28 g/mol

Open in Covalent MOL file

Ester Ether Sulfonamide

Properties

Molecular formula: C₁₀H₁₃NO₅S
Molar mass: 259.28 g/mol
Exact mass: 259.0514 Da
Melting point: 148–151 °C
logP: 0.52Crippen estimate
Polar surface area: 95.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

33045-53-3

SMILES

CCOC(=O)c1cc(S(N)(=O)=O)ccc1OC

InChIKey

ZQSFLXDMGBSJKV-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester
o-Anisic acid, 5-sulfamoyl-, ethyl ester
Ethyl 2-methoxy-5-sulfamoylbenzoate
Ethyl 5-(aminosulfonyl)-2-methoxybenzoate
Ethyl 5-sulphamoyl-o-anisate

Work with Ethyl 2-methoxy-5-sulfonamidobenzoate

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 2-methoxy-5-sulfamoylbenzoate33045-52-273 % similar 5-(Aminosulfonyl)-2-methoxybenzoic acid22117-85-762 % similar Ethyl 2-methoxybenzoate7335-26-456 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-954 % similar Methyl 5-(ethylsulphonyl)-o-anisate62140-67-453 % similar Methyl 2-methoxy-5-(methylsulfonyl)benzoate63484-12-850 % similar (±)-Sulpiride15676-16-148 % similar Levosulpiride23672-07-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-5-(ethylsulphonyl)-o-anisic acid71675-87-1

Elsewhere

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