chempirical

4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride

C6H4Cl3NO4S2CAS 671-89-6324.57 g/mol

Open in Covalent MOL file
H2NClSOOClSOOCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H4Cl3NO4S2
Molar mass
324.57 g/mol
Exact mass
322.8647 Da
Melting point
130–132 °C
logP
1.78Crippen estimate
Polar surface area
94.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
671-89-6
SMILES
Nc1cc(Cl)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl
InChIKey
YIZXGHNDQUYDDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedisulfonyl dichloride, 4-amino-6-chloro-
  • m-Benzenedisulfonyl chloride, 4-amino-6-chloro-
  • 5-Chloroaniline-2,4-disulfonyl dichloride
  • 4-Amino-6-chloro-1,3-benzenedisulfonyl chloride
  • 5-Chloro-2,4-dichlorosulfonylaniline

Work with 4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride

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-Trichlorobenzenesulfonyl chloride15945-07-064 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-259 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-456 % similar 2-Chlorobenzenesulfonyl chloride2905-23-952 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-352 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-352 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-050 % similar 4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook