N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride

C11H15Cl2N3O2S — CID 11957465

IUPACN-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride
SMILESCl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H
InChIKeyHBLCYSFLYMHCBM-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.32
Rot. Bonds4

About N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride

N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride (PubChem CID 11957465) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride
PubChem CID11957465
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC NameN-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride
SMILESCl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H
InChIKeyHBLCYSFLYMHCBM-UHFFFAOYSA-N
XLogP1.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fasudil
CID 3547
1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
protein kinase inhibitor H89
CID 449241
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
Fasudil Hydrochloride
CID 163751
Ripasudil
CID 9863672
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
H-1152
CID 448043
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
8-Quinolinesulfonamide
CID 94464

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride (CID 11957465) is N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride is Cl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride?
The InChIKey is HBLCYSFLYMHCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H.
What are the key properties of N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride?
N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride has a molecular weight of 324.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)isoquinoline-5-sulfonamide;dihydrochloride is sourced from PubChem (CID 11957465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).