chempirical

Dabsyl chloride

C14H14ClN3O2SCAS 56512-49-3323.80 g/mol

Open in Covalent MOL file
NNNSOOCl
AzoTertiary amine

Properties

Molecular formula
C14H14ClN3O2S
Molar mass
323.80 g/mol
Exact mass
323.0495 Da
logP
4.10Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
56512-49-3
SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIKey
VTVWTPGLLAELLI-UHFFFAOYSA-N
InChI
InChI=1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonyl chloride, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-
  • Benzenesulfonyl chloride, 4-[[4-(dimethylamino)phenyl]azo]-
  • 4-[2-[4-(Dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
  • 4-Dimethylaminoazobenzene-4′-sulfonyl chloride
  • DABS-Cl
  • 4-[[4-(Dimethylamino)phenyl]azo]benzenesulfonyl chloride
  • 4′-(Dimethylamino)azobenzene-4-sulfonic acid chloride

Work with Dabsyl chloride

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

Methyl orange547-58-061 % similar Methyl yellow60-11-755 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-351 % similar Fenaminosulf140-56-749 % similar 4-N,N-Dimethylaminoazobenzene-4′-isothiocyanate7612-98-847 % similar N,N-Dimethyl-4-nitrosoaniline138-89-647 % similar 4-Toluenesulfonyl chloride98-59-947 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-647 % similar

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

Same formula

Pirinixic acid50892-23-4

Elsewhere

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