2-Amino-4-sulfobenzoic acid

C₇H₇NO₅SCAS 98-43-1217.20 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
logP: 0.21Crippen estimate
Polar surface area: 117.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Identifiers

CAS number

98-43-1

SMILES

Nc1cc(S(=O)(=O)O)ccc1C(=O)O

InChIKey

GRGSHONWRKRWGP-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO5S/c8-6-3-4(14(11,12)13)1-2-5(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

5 names

Benzoic acid, 2-amino-4-sulfo-
Anthranilic acid, 4-sulfo-
2-Amino-4-sulfobenzenecarboxylic acid
4-Sulfoanthranilic acid
3-Amino-4-carboxybenzenesulfonic acid

Work with 2-Amino-4-sulfobenzoic 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 acid89-08-774 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-167 % similar 5-Sulfosalicylic acid97-05-263 % similar 3,4-Diaminobenzenesulfonic acid7474-78-462 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-259 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-258 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-357 % similar 2-Aminoterephthalic acid10312-55-756 % similar

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

Same formula

2-Methyl-5-nitrobenzenesulfonic acid121-03-9 5-Sulfoanthranilic acid3577-63-7 4-Amino-2-sulfobenzoic acid527-76-4

Elsewhere

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