chempirical

H-89

C20H20BrN3O2SCAS 127243-85-0446.36 g/mol

Open in Covalent MOL file
OSONHHNBrN
AlkeneAryl halideSecondary amineSulfonamide

Properties

Molecular formula
C20H20BrN3O2S
Molar mass
446.36 g/mol
Exact mass
445.0460 Da
logP
3.58Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8

Identifiers

CAS number
127243-85-0
SMILES
O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12
InChIKey
ZKZXNDJNWUTGDK-UHFFFAOYSA-N
InChI
InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2

Weigh it out

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

Names and synonyms

6 names
  • 5-Isoquinolinesulfonamide, N-[2-[[3-(4-bromophenyl)-2-propen-1-yl]amino]ethyl]-
  • 5-Isoquinolinesulfonamide, N-[2-[[3-(4-bromophenyl)-2-propenyl]amino]ethyl]-
  • N-[2-[[3-(4-Bromophenyl)-2-propen-1-yl]amino]ethyl]-5-isoquinolinesulfonamide
  • H 89
  • Protein kinase inhibitor H89
  • H 89 (Pharmaceutical)

Work with H-89

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 8 Dihydrochloride113276-94-154 % similar H-9 Dihydrochloride116700-36-852 % similar Fasudil103745-39-740 % similar 5-Isoquinolinesulfonic acid27655-40-939 % similar 5-Isoquinolinesulfonyl chloride84468-15-539 % similar Fasudil hydrochloride105628-07-739 % similar H 7 Dihydrochloride108930-17-236 % similar 5-Nitroisoquinoline607-32-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia