isoquinoline-5-sulfonamide;trihydrochloride

C9H11Cl3N2O2S — CID 140968257

IUPACisoquinoline-5-sulfonamide;trihydrochloride
SMILESCl.Cl.Cl.NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C9H8N2O2S.3ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;;;/h1-6H,(H2,10,12,13);3*1H
InChIKeyXHJDOWFNYDHKKZ-UHFFFAOYSA-N
MW317.62 g/mol
LogP2.15
Rot. Bonds1

About isoquinoline-5-sulfonamide;trihydrochloride

isoquinoline-5-sulfonamide;trihydrochloride (PubChem CID 140968257) has the molecular formula C9H11Cl3N2O2S and a molecular weight of 317.62 g/mol. Its IUPAC name is isoquinoline-5-sulfonamide;trihydrochloride.

Molecular Properties

Compound Nameisoquinoline-5-sulfonamide;trihydrochloride
PubChem CID140968257
Molecular FormulaC9H11Cl3N2O2S
Molecular Weight317.62 g/mol
Exact Mass315.96
IUPAC Nameisoquinoline-5-sulfonamide;trihydrochloride
SMILESCl.Cl.Cl.NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C9H8N2O2S.3ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;;;/h1-6H,(H2,10,12,13);3*1H
InChIKeyXHJDOWFNYDHKKZ-UHFFFAOYSA-N
XLogP2.15
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
Fasudil
CID 3547
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
Fasudil Hydrochloride
CID 163751
protein kinase inhibitor H89
CID 449241
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
Ripasudil
CID 9863672
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
H-1152
CID 448043
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
iso-H 7
CID 1352

Frequently Asked Questions

What is the IUPAC name of isoquinoline-5-sulfonamide;trihydrochloride?
The IUPAC name of isoquinoline-5-sulfonamide;trihydrochloride (CID 140968257) is isoquinoline-5-sulfonamide;trihydrochloride.
What is the SMILES notation for isoquinoline-5-sulfonamide;trihydrochloride?
The canonical SMILES for isoquinoline-5-sulfonamide;trihydrochloride is Cl.Cl.Cl.NS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of isoquinoline-5-sulfonamide;trihydrochloride?
The InChIKey is XHJDOWFNYDHKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S.3ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;;;/h1-6H,(H2,10,12,13);3*1H.
What are the key properties of isoquinoline-5-sulfonamide;trihydrochloride?
isoquinoline-5-sulfonamide;trihydrochloride has a molecular weight of 317.62 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-5-sulfonamide;trihydrochloride is sourced from PubChem (CID 140968257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).