5-Sulfoanthranilic acid

C₇H₇NO₅SCAS 3577-63-7217.20 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₇NO₅S
Molar mass: 217.20 g/mol
Exact mass: 217.0045 Da
Melting point: 319 °C
Water solubility: 10–50 g/L (20.5 °C)
logP: 0.21Crippen estimate
Polar surface area: 117.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation60% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

3577-63-7

SMILES

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

InChIKey

MJNYPLCGWXFYPD-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 2-amino-5-sulfo-
Anthranilic acid, 5-sulfo-
2-Amino-5-sulfobenzoic acid
4-Sulfo-2-carboxyaniline
4-Amino-3-carboxybenzenesulfonic acid
2-Carboxy-4-sulfoaniline
2-Amino-1-carboxybenzene-5-sulfonic acid

Work with 5-Sulfoanthranilic 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

4-Sulfophthalic acid89-08-771 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-568 % similar 5-Sulfosalicylic acid97-05-266 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-165 % similar Sulfosalicylic acid dihydrate5965-83-361 % similar 3,4-Diaminobenzenesulfonic acid7474-78-460 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-958 % similar Aniline-2,4-disulfonic acid137-51-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-nitrobenzenesulfonic acid121-03-9 4-Amino-2-sulfobenzoic acid527-76-4 2-Amino-4-sulfobenzoic acid98-43-1

Elsewhere

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