Methyl 2-[(aminosulfonyl)methyl]benzoate

C₉H₁₁NO₄SCAS 112941-26-1229.25 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: 0.26Crippen estimate
Polar surface area: 86.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

112941-26-1

SMILES

COC(=O)c1ccccc1CS(N)(=O)=O

InChIKey

DBOUFTHAEAVMJC-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester
2-(Methoxycarbonyl)benzylsulfonamide
[2-(Methoxycarbonyl)phenyl]methanesulfonamide
Methyl 2-(sulfamoylmethyl)benzoate

Work with Methyl 2-[(aminosulfonyl)methyl]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)benzoate57683-71-356 % similar Dimethyl phthalate131-11-356 % similar Methyl anthranilate134-20-351 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-749 % similar Methyl 2-bromobenzoate610-94-649 % similar Methyl 2-methylbenzoate89-71-449 % similar Methyl salicylate119-36-848 % similar Methyl 2-fluorobenzoate394-35-448 % similar

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

Same formula

N-[(4-Methylphenyl)sulfonyl]glycine1080-44-0 Ethyl 2-(aminosulfonyl)benzoate59777-72-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook