N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C23H19ClN4O3S — CID 165436995

IUPACN-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)Nc2ccccn2)cc1)Nc1ccc2cncc(Cl)c2c1
InChIInChI=1S/C23H19ClN4O3S/c24-21-15-25-14-17-7-8-18(13-20(17)21)27-23(29)11-6-16-4-9-19(10-5-16)32(30,31)28-22-3-1-2-12-26-22/h1-5,7-10,12-15H,6,11H2,(H,26,28)(H,27,29)
InChIKeyCQFOGSLVBCLUPV-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.66
Rot. Bonds7

About N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 165436995) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID165436995
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)Nc2ccccn2)cc1)Nc1ccc2cncc(Cl)c2c1
InChIInChI=1S/C23H19ClN4O3S/c24-21-15-25-14-17-7-8-18(13-20(17)21)27-23(29)11-6-16-4-9-19(10-5-16)32(30,31)28-22-3-1-2-12-26-22/h1-5,7-10,12-15H,6,11H2,(H,26,28)(H,27,29)
InChIKeyCQFOGSLVBCLUPV-UHFFFAOYSA-N
XLogP4.66
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 165436995) is N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)Nc2ccccn2)cc1)Nc1ccc2cncc(Cl)c2c1.
What is the InChIKey of N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is CQFOGSLVBCLUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-21-15-25-14-17-7-8-18(13-20(17)21)27-23(29)11-6-16-4-9-19(10-5-16)32(30,31)28-22-3-1-2-12-26-22/h1-5,7-10,12-15H,6,11H2,(H,26,28)(H,27,29).
What are the key properties of N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 466.95 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 165436995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).