chempirical

4-Amino-2,5-dichlorobenzenesulfonic acid

C6H5Cl2NO3SCAS 88-50-6242.07 g/mol

Open in Covalent MOL file
H2NClSOOOHCl
Aryl halidePrimary amineSulfonic acid

Properties

Molecular formula
C6H5Cl2NO3S
Molar mass
242.07 g/mol
Exact mass
240.9367 Da
logP
1.82Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
88-50-6
SMILES
Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl
InChIKey
SJCTXIKOXTUQHC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2NO3S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonic acid, 4-amino-2,5-dichloro-
  • Sulfanilic acid, 2,5-dichloro-
  • 2,5-Dichlorosulfanilic acid
  • 2,5-Dichloroaniline-4-sulfonic acid
  • NSC 1128
  • NSC 6299

Work with 4-Amino-2,5-dichlorobenzenesulfonic 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

2,4,5-Trichlorobenzenesulfonic acid6378-25-269 % similar 2-Amino-4-chloro-5-methylbenzenesulfonic acid88-51-766 % similar C Amine88-53-966 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-757 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-257 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-855 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-453 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-752 % similar

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

Same formula

2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-0

Elsewhere

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