4-Amino-5-(ethylsulphonyl)-o-anisic acid

C₁₀H₁₃NO₅SCAS 71675-87-1259.28 g/mol

Carboxylic acid Ether Primary amine Sulfone

Properties

Molecular formula: C₁₀H₁₃NO₅S
Molar mass: 259.28 g/mol
Exact mass: 259.0514 Da
logP: 0.77Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Hazards

Not classified as hazardous under GHS by 20 ECHA notifiers. Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

71675-87-1

SMILES

CCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N

InChIKey

OJVNCXHGGYYOPH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
Benzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-
2-Methoxy-4-amino-5-ethylsulfonyl benzoic acid

Work with 4-Amino-5-(ethylsulphonyl)-o-anisic acid

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 4-amino-5-ethylsulfonyl-2-methoxybenzoate80036-89-170 % similar 5-(Ethylsulfonyl)-2-methoxybenzoic acid4840-63-563 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-757 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-457 % similar 4-Amino-5-(ethylthio)-o-anisic acid71675-86-056 % similar Amisulpride71675-85-953 % similar 2,4,5-Trimethoxybenzoic acid490-64-251 % similar 4-Amino-o-anisic acid2486-80-848 % similar

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

Same formula

Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook