4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride

C₉H₆Cl₂FNO₂SCAS 906820-08-4282.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆Cl₂FNO₂S
Molar mass: 282.11 g/mol
Exact mass: 280.9480 Da
logP: 2.72Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

906820-08-4

SMILES

C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F.Cl

InChIKey

CZBQKKWMAVBCJX-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClFNO2S.ClH/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;/h1-5H;1H

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-5-isoquinolinesulfonyl chloride hydrochloride (1:1)

Work with 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride

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

5-Isoquinolinesulfonyl chloride84468-15-550 % similar 2-Fluorobenzenesulfonyl chloride2905-21-748 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-043 % similar 1-Naphthalenesulfonyl chloride85-46-143 % similar 8-Quinolinesulfonyl chloride18704-37-542 % similar 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-441 % similar 2,6-Difluorobenzenesulfonyl chloride60230-36-641 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook