2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide

C17H13Cl2N3O2S — CID 167215661

IUPAC2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
SMILESNS(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O2S/c18-14-4-2-1-3-10(14)6-17(23)22-12-5-11-9-21-16(19)8-13(11)15(7-12)25(20)24/h1-5,7-9H,6,20H2,(H,22,23)
InChIKeyLIOQNHSFDPFGSQ-UHFFFAOYSA-N
MW394.28 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide

2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide (PubChem CID 167215661) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
PubChem CID167215661
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
SMILESNS(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O2S/c18-14-4-2-1-3-10(14)6-17(23)22-12-5-11-9-21-16(19)8-13(11)15(7-12)25(20)24/h1-5,7-9H,6,20H2,(H,22,23)
InChIKeyLIOQNHSFDPFGSQ-UHFFFAOYSA-N
XLogP3.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-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

Related Compounds

2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
N-(5-aminosulfanylisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
CID 156572240
2-(2-chlorophenyl)-N-(3-pyridin-3-yl-5-sulfinamoylphenyl)acetamide
CID 134594581
2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide
CID 155063343
2-(2-chlorophenyl)-N-(2-phenyl-5-sulfinamoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 167215579
N-(8-aminosulfanylisoquinolin-6-yl)-2-(2-chlorophenyl)acetamide
CID 156572530
2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 155063475
2-(2-chlorophenyl)-N-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-sulfinamoylphenyl]acetamide
CID 155485786
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-(2-chlorophenyl)-N-[3-[4-methyl-3-(oxomethylidene)piperazin-1-yl]-5-sulfamoylisoquinolin-7-yl]acetamide
CID 156803458
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide (CID 167215661) is 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide is NS(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide?
The InChIKey is LIOQNHSFDPFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-14-4-2-1-3-10(14)6-17(23)22-12-5-11-9-21-16(19)8-13(11)15(7-12)25(20)24/h1-5,7-9H,6,20H2,(H,22,23).
What are the key properties of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide?
2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide has a molecular weight of 394.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide is sourced from PubChem (CID 167215661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).