chempirical

H 8 Dihydrochloride

C12H17Cl2N3O2SCAS 113276-94-1338.25 g/mol

Open in Covalent MOL file
HNNHSOONHClHCl
Secondary amineSulfonamide

Properties

Molecular formula
C12H17Cl2N3O2S
Molar mass
338.25 g/mol
Exact mass
337.0419 Da
Melting point
221–222 °C
logP
1.58Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
113276-94-1
SMILES
CNCCNS(=O)(=O)c1cccc2cnccc12.Cl.Cl
InChIKey
RJJLZYZEVNCZIW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3O2S.2ClH/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12;;/h2-6,9,13,15H,7-8H2,1H3;2*1H

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

Names and synonyms

4 names
  • 5-Isoquinolinesulfonamide, N-[2-(methylamino)ethyl]-, hydrochloride (1:2)
  • 5-Isoquinolinesulfonamide, N-[2-(methylamino)ethyl]-, dihydrochloride
  • H 8
  • N-[2-(Methylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride

Work with H 8 Dihydrochloride

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

H-9 Dihydrochloride116700-36-873 % similar H-89127243-85-054 % similar Fasudil hydrochloride105628-07-750 % similar H 7 Dihydrochloride108930-17-249 % similar 5-Isoquinolinesulfonic acid27655-40-947 % similar 5-Isoquinolinesulfonyl chloride84468-15-547 % similar Fasudil103745-39-745 % similar W-7 Hydrochloride61714-27-039 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook