5-Isoquinolinesulfonyl chloride

C₉H₆ClNO₂SCAS 84468-15-5227.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆ClNO₂S
Molar mass: 227.66 g/mol
Exact mass: 226.9808 Da
logP: 2.16Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

84468-15-5

SMILES

O=S(=O)(Cl)c1cccc2cnccc12

InChIKey

WHIDHHUCCTYJKA-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H

Weigh it out

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

Work with 5-Isoquinolinesulfonyl 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

1-Naphthalenesulfonyl chloride85-46-164 % similar 5-Isoquinolinesulfonic acid27655-40-962 % similar H-9 Dihydrochloride116700-36-848 % similar Fasudil103745-39-747 % similar H 8 Dihydrochloride113276-94-147 % similar 5-Aminoisoquinoline1125-60-646 % similar 3-Pyridinesulfonyl chloride16133-25-846 % similar 5-Hydroxyisoquinoline2439-04-546 % similar

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

Same formula

8-Quinolinesulfonyl chloride18704-37-5

Elsewhere

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