N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride

C21H26ClN3O2S — CID 11293051

IUPACN-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NCCCN(CCCc1ccccc1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C21H25N3O2S.ClH/c22-13-6-16-24(15-5-9-18-7-2-1-3-8-18)27(25,26)21-11-4-10-19-17-23-14-12-20(19)21;/h1-4,7-8,10-12,14,17H,5-6,9,13,15-16,22H2;1H
InChIKeyUWLQNKDJGOJIRF-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.63
Rot. Bonds9

About N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride

N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride (PubChem CID 11293051) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
PubChem CID11293051
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC NameN-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NCCCN(CCCc1ccccc1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C21H25N3O2S.ClH/c22-13-6-16-24(15-5-9-18-7-2-1-3-8-18)27(25,26)21-11-4-10-19-17-23-14-12-20(19)21;/h1-4,7-8,10-12,14,17H,5-6,9,13,15-16,22H2;1H
InChIKeyUWLQNKDJGOJIRF-UHFFFAOYSA-N
XLogP3.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(4-aminobutyl)-N-(2-phenylsulfanylethyl)isoquinoline-5-sulfonamide
CID 71376942
N-(4-aminobutyl)-N-(2-cyclopentylethyl)isoquinoline-5-sulfonamide
CID 71376939
N-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)isoquinoline-5-sulfonamide
CID 71376957
ethyl 3-[benzyl(isoquinolin-5-ylsulfonyl)amino]propanoate
CID 3839401
N-benzyl-N-(2-hydroxy-2-methylbutyl)isoquinoline-5-sulfonamide
CID 126792069
N-(4-aminobutyl)-N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
CID 67862169
N-(3-aminononyl)-N-hexylisoquinoline-5-sulfonamide
CID 70054324
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
N-(3-amino-2-methylpropyl)-N-propylisoquinoline-5-sulfonamide
CID 14326802
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride (CID 11293051) is N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride is Cl.NCCCN(CCCc1ccccc1)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is UWLQNKDJGOJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S.ClH/c22-13-6-16-24(15-5-9-18-7-2-1-3-8-18)27(25,26)21-11-4-10-19-17-23-14-12-20(19)21;/h1-4,7-8,10-12,14,17H,5-6,9,13,15-16,22H2;1H.
What are the key properties of N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride?
N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 419.98 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 11293051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).