2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic acid

C₁₂H₁₁N₃O₅SCAS 91-29-2309.30 g/mol

Open in Covalent MOL file

Nitro Primary amine Secondary amine Sulfonic acid

Properties

Molecular formula: C₁₂H₁₁N₃O₅S
Molar mass: 309.30 g/mol
Exact mass: 309.0419 Da
logP: 2.17Crippen estimate
Polar surface area: 135.6 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 4

Identifiers

CAS number

91-29-2

SMILES

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

InChIKey

GSITZZUEHIPPMH-UHFFFAOYSA-N

InChI

InChI=1S/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)

Weigh it out

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

Names and synonyms

9 names

Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-
Benzenesulfonic acid, 2-(p-aminoanilino)-5-nitro-
2-(p-Aminoanilino)-5-nitrobenzenesulfonic acid
4′-Amino-4-nitrodiphenylamine-2-sulfonic acid
Aniline nitro nerol acid
4-Nitro-4′-amino-2-sulfodiphenylamine
4-Amino-4′-nitrodiphenylamine-2′-sulfonic acid
4-Amino-4′-nitro-1,1′-diphenylamine-2′-sulfonic acid
NSC 5534

Work with 2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic 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

4,4′-Diaminodiphenylamine-2-sulfonic acid119-70-068 % similar 4-Nitroaniline-2-sulfonic acid96-75-363 % similar 5-Amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid119-72-262 % similar 5-Amino-2-(phenylamino)benzenesulfonic acid91-30-558 % similar 2,4-Dinitrobenzenesulfonic acid89-02-155 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-754 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-953 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-153 % similar

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

Elsewhere

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