2-Amino-5-(aminosulfonyl)benzoic acid

C₇H₈N₂O₄SCAS 137-65-5216.21 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfonamide

Properties

Molecular formula: C₇H₈N₂O₄S
Molar mass: 216.21 g/mol
Exact mass: 216.0205 Da
Melting point: 246 °C (decomposes)
logP: -0.39Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

137-65-5

SMILES

Nc1ccc(S(N)(=O)=O)cc1C(=O)O

InChIKey

JRGAUAWPCLQHTF-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,8H2,(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, 2-amino-5-(aminosulfonyl)-
Anthranilic acid, 5-sulfamoyl-
5-Sulfamoylanthranilic acid
2-Amino-5-(aminosulphonyl)benzoic acid
2-Amino-5-sulfamoylbenzoic acid

Work with 2-Amino-5-(aminosulfonyl)benzoic 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-Sulfoanthranilic acid3577-63-768 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-167 % similar 5-(Aminosulfonyl)-2-methoxybenzoic acid22117-85-766 % similar 4-Carboxybenzenesulfonamide138-41-057 % similar 5-Hydroxyanthranilic acid394-31-055 % similar 4-Amino-3-methylbenzene-1-sulfonamide53297-70-455 % similar 2,5-Diaminoterephthalic acid945-30-255 % similar 2-Amino-5-methylbenzoic acid2941-78-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-nitrobenzene-1-sulfonamide6269-91-6 4-Methyl-3-nitrobenzenesulfonamide6949-23-1 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-2

Elsewhere

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