5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline

C18H19N3O2S — CID 56871516

IUPAC5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
SMILESCN(Cc1cccc2cnccc12)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-21(24(22,23)20-12-15-6-3-2-4-7-15)14-17-9-5-8-16-13-19-11-10-18(16)17/h2-11,13,20H,12,14H2,1H3
InChIKeyQDDAUULUFOYRJE-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.70
Rot. Bonds6

About 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline

5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline (PubChem CID 56871516) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline.

Molecular Properties

Compound Name5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
PubChem CID56871516
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
SMILESCN(Cc1cccc2cnccc12)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-21(24(22,23)20-12-15-6-3-2-4-7-15)14-17-9-5-8-16-13-19-11-10-18(16)17/h2-11,13,20H,12,14H2,1H3
InChIKeyQDDAUULUFOYRJE-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
N-(isoquinolin-5-ylmethyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 131949499
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 91773741
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 54895504
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
(3S)-3-[[isoquinolin-5-ylmethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 126450614
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
CID 175485819
1-(6-chloro-3-pyridinyl)-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 56713738
N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride
CID 16846036

Frequently Asked Questions

What is the IUPAC name of 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline?
The IUPAC name of 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline (CID 56871516) is 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline.
What is the SMILES notation for 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline?
The canonical SMILES for 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline is CN(Cc1cccc2cnccc12)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline?
The InChIKey is QDDAUULUFOYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21(24(22,23)20-12-15-6-3-2-4-7-15)14-17-9-5-8-16-13-19-11-10-18(16)17/h2-11,13,20H,12,14H2,1H3.
What are the key properties of 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline?
5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline has a molecular weight of 341.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline is sourced from PubChem (CID 56871516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).