Ethyl 2-(aminosulfonyl)benzoate

C₉H₁₁NO₄SCAS 59777-72-9229.25 g/mol

Open in Covalent MOL file

Ester Sulfonamide

Properties

Molecular formula: C₉H₁₁NO₄S
Molar mass: 229.25 g/mol
Exact mass: 229.0409 Da
logP: 0.51Crippen estimate
Polar surface area: 86.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

59777-72-9

SMILES

CCOC(=O)c1ccccc1S(N)(=O)=O

InChIKey

CYFKZTWSLPKROH-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 2-(aminosulfonyl)-, ethyl ester
Benzoic acid, o-sulfamoyl-, ethyl ester
Ethyl 2-sulfamoylbenzoate
o-(Carbethoxy)benzenesulfonamide
2-(Ethoxycarbonyl)benzenesulfonamide
2-Sulfamoylbenzoic acid ethyl ester
2-Carboethoxybenzene sulfonamide

Work with Ethyl 2-(aminosulfonyl)benzoate

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-(aminosulfonyl)benzoate57683-71-367 % similar Diethyl phthalate84-66-263 % similar Ethyl 2-aminobenzoate87-25-257 % similar Ethyl 2-bromobenzoate6091-64-155 % similar Ethyl 2-methylbenzoate87-24-155 % similar Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-354 % similar Ethyl salicylate118-61-654 % similar Ethyl 2-iodobenzoate1829-28-354 % similar

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

Same formula

N-[(4-Methylphenyl)sulfonyl]glycine1080-44-0 Methyl 2-[(aminosulfonyl)methyl]benzoate112941-26-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook