Sodium 2-nitroaniline-4-sulfonate

C₆H₅N₂NaO₅SCAS 5042-33-1240.16 g/mol

Open in Covalent MOL file

Nitro Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₅N₂NaO₅S
Molar mass: 240.16 g/mol
Exact mass: 239.9817 Da
logP: 0.04Crippen estimate
Polar surface area: 123.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Identifiers

CAS number

5042-33-1

SMILES

Nc1ccc(S([O-])(=O)=O)cc1[N+]([O-])=O.[Na+]

InChIKey

GJWMPULQPLRONY-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonic acid, 4-amino-3-nitro-, sodium salt (1:1)
Benzenesulfonic acid, 4-amino-3-nitro-, monosodium salt
Sulfanilic acid, 3-nitro-, sodium salt
Sodium 3-nitro-4-aminobenzenesulfonate

Work with Sodium 2-nitroaniline-4-sulfonate

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

Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-966 % similar 4-Amino-3-nitrobenzenesulfonic acid616-84-263 % similar 4-Bromo-2-nitroaniline875-51-455 % similar Nitrol S127-68-455 % similar Nitro-P-phenylenediamine5307-14-254 % similar 4-Fluoro-2-nitroaniline364-78-353 % similar 4-Iodo-2-nitrobenzenamine20691-72-951 % similar 4-Amino-3-nitrophenol610-81-151 % similar

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

Same formula

Sodium 2-amino-5-nitrobenzenesulfonate30693-53-9

Elsewhere

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