Methyl 2-(aminosulfonyl)benzoate

C8H9NO4SCAS 57683-71-3215.22 g/mol

Open in Covalent MOL file
OOSH2NOO
EsterSulfonamide

Properties

Molecular formula
C8H9NO4S
Molar mass
215.22 g/mol
Exact mass
215.0252 Da
Melting point
123–125 °C
logP
0.12Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57683-71-3
SMILES
COC(=O)c1ccccc1S(N)(=O)=O
InChIKey
VSOOBQALJVLTBH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-(aminosulfonyl)-, methyl ester
  • Methyl 2-sulfamoylbenzoate
  • Benzoic acid, o-sulfamoyl-, methyl ester
  • 2-(Methoxycarbonyl)benzenesulfonamide
  • 2-(Carbomethoxy)benzenesulfonamide
  • Methyl o-sulfamoylbenzoate
  • 2-Sulfamoyl-benzoic acid methyl ester

Work with Methyl 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

Ethyl 2-(aminosulfonyl)benzoate59777-72-967 % similar 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester144550-79-863 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-763 % similar Dimethyl phthalate131-11-359 % similar Methyl 2-[(aminosulfonyl)methyl]benzoate112941-26-156 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-856 % similar Methyl anthranilate134-20-354 % similar Methyl 2-methoxy-5-sulfamoylbenzoate33045-52-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-4-(methylsulfonyl)-2-nitrobenzene1671-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook