chempirical

3-Methyl-8-quinolinesulfonyl chloride

C10H8ClNO2SCAS 74863-82-4241.69 g/mol

Open in Covalent MOL file
NSOOCl

Properties

Molecular formula
C10H8ClNO2S
Molar mass
241.69 g/mol
Exact mass
240.9964 Da
logP
2.47Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
74863-82-4
SMILES
Cc1cnc2c(S(=O)(=O)Cl)cccc2c1
InChIKey
XCMAYGDQKTWICK-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-6H,1H3

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Names and synonyms

3 names
  • 8-Quinolinesulfonyl chloride, 3-methyl-
  • 8-Chlorosulfonyl-3-methylquinoline
  • 3-Methyl-8-quinolinesulphonyl chloride

Work with 3-Methyl-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-Quinolinesulfonyl chloride18704-37-559 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-646 % similar 5-Isoquinolinesulfonyl chloride84468-15-545 % similar 1-Naphthalenesulfonyl chloride85-46-145 % similar 2-Chlorobenzenesulfonyl chloride2905-23-944 % similar 2,1,3-Benzoxadiazole-4-sulfonyl chloride114322-14-443 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-843 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-143 % similar

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

Elsewhere

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