2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide

C19H18ClN3O3S — CID 169423175

IUPAC2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H18ClN3O3S/c1-2-27(25,26)23-16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12,23H,2,9H2,1H3,(H,22,24)
InChIKeyMNDRUWQFPLEMLT-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.83
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide

2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide (PubChem CID 169423175) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide
PubChem CID169423175
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H18ClN3O3S/c1-2-27(25,26)23-16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12,23H,2,9H2,1H3,(H,22,24)
InChIKeyMNDRUWQFPLEMLT-UHFFFAOYSA-N
XLogP3.83
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide 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 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide (CID 169423175) is 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide is CCS(=O)(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide?
The InChIKey is MNDRUWQFPLEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-2-27(25,26)23-16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12,23H,2,9H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide?
2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[6-(ethylsulfonylamino)isoquinolin-4-yl]acetamide is sourced from PubChem (CID 169423175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).