5-(Aminosulfonyl)-2-methoxybenzoic acid

C₈H₉NO₅SCAS 22117-85-7231.22 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Sulfonamide

Properties

Molecular formula: C₈H₉NO₅S
Molar mass: 231.22 g/mol
Exact mass: 231.0201 Da
Melting point: 220 °C
logP: 0.04Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22117-85-7

SMILES

COc1ccc(S(N)(=O)=O)cc1C(=O)O

InChIKey

SQAILWDRVDGLGY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)

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-
o-Anisic acid, 5-sulfamoyl-
2-Methoxy-5-sulfamoylbenzoic acid
2-Methoxy-5-sulfonamidobenzoic acid
2-Methoxy-5-sulfamidobenzoic acid

Work with 5-(Aminosulfonyl)-2-methoxybenzoic 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

5-(Aminosulfonyl)-2,3-dimethoxybenzoic acid66644-80-270 % similar 2-Methoxy-5-(methylsulfonyl)benzoic acid50390-76-669 % similar Methyl 2-methoxy-5-sulfamoylbenzoate33045-52-267 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-566 % similar 5-(Ethylsulfonyl)-2-methoxybenzoic acid4840-63-564 % similar Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-362 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-160 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-159 % similar

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

Elsewhere

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