chempirical

8-Quinolinesulfonyl chloride

C9H6ClNO2SCAS 18704-37-5227.66 g/mol

Open in Covalent MOL file
OSOClN

Properties

Molecular formula
C9H6ClNO2S
Molar mass
227.66 g/mol
Exact mass
226.9808 Da
Melting point
124–126 °C
logP
2.16Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
18704-37-5
SMILES
O=S(=O)(Cl)c1cccc2cccnc12
InChIKey
JUYUYCIJACTHMK-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Weigh it out

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

Names and synonyms

7 names
  • 8-Chlorosulfonyl-1-benzazine
  • 8-Quinolylsulfonyl chloride
  • Quinoline-8-sulfonic acid chloride
  • 8-Quinolinylsulfonyl chloride
  • 8-Chinolinsulfonyl chloride
  • NSC 91506
  • 8-Chlorosulfonylquinoline

Work with 8-Quinolinesulfonyl 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

8-Quinolinesulfonic acid85-48-360 % similar 3-Methyl-8-quinolinesulfonyl chloride74863-82-459 % similar 1-Naphthalenesulfonyl chloride85-46-153 % similar 2,1,3-Benzoxadiazole-4-sulfonyl chloride114322-14-450 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-850 % similar 8-Chloroquinoline611-33-648 % similar 2-Chlorobenzenesulfonyl chloride2905-23-947 % similar 1,10-Phenanthroline66-71-747 % similar

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

Same formula

5-Isoquinolinesulfonyl chloride84468-15-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook