1-(5-Isoquinolinylsulfonyl)piperazine

C13H15N3O2SCAS 84468-24-6277.34 g/mol

Open in Covalent MOL file
OSONNHN
Secondary amineSulfonamide

Properties

Molecular formula
C13H15N3O2S
Molar mass
277.34 g/mol
Exact mass
277.0885 Da
Melting point
162 °C
logP
0.83Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
84468-24-6
SMILES
O=S(=O)(c1cccc2cnccc12)N1CCNCC1
InChIKey
UPTYCYWTFGTCCG-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2

Weigh it out

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

Names and synonyms

5 names
  • Isoquinoline, 5-(1-piperazinylsulfonyl)-
  • Piperazine, 1-(5-isoquinolinylsulfonyl)-
  • 5-(1-Piperazinylsulfonyl)isoquinoline
  • HA 100 (pharmaceutical)
  • HA 100

Work with 1-(5-Isoquinolinylsulfonyl)piperazine

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

Fasudil103745-39-790 % similar Fasudil hydrochloride105628-07-784 % similar 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride140663-38-364 % similar 1-(5-Isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride108930-17-261 % similar 5-Isoquinolinesulfonic acid27655-40-951 % similar 5-Isoquinolinesulfonyl chloride84468-15-551 % similar H-9 Dihydrochloride116700-36-849 % similar H 8 Dihydrochloride113276-94-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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