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

C17H13Cl2N3O3S — CID 156572300

IUPAC2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O3S/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)26(20,24)25/h1-5,7-9H,6H2,(H,22,23)(H2,20,24,25)
InChIKeyXCHGRSGDBFTKIG-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.37
Rot. Bonds4

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

2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide (PubChem CID 156572300) has the molecular formula C17H13Cl2N3O3S and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
PubChem CID156572300
Molecular FormulaC17H13Cl2N3O3S
Molecular Weight410.28 g/mol
Exact Mass409.01
IUPAC Name2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O3S/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)26(20,24)25/h1-5,7-9H,6H2,(H,22,23)(H2,20,24,25)
InChIKeyXCHGRSGDBFTKIG-UHFFFAOYSA-N
XLogP3.37
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
CID 167215661
2-(2-chlorophenyl)-N-[3-[4-methyl-3-(oxomethylidene)piperazin-1-yl]-5-sulfamoylisoquinolin-7-yl]acetamide
CID 156803458
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
CID 156572250
2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
N-(5-aminosulfanylisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
CID 156572240
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
N-(8-aminosulfanylisoquinolin-6-yl)-2-(2-chlorophenyl)acetamide
CID 156572530
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide (CID 156572300) is 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc2cnc(Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide?
The InChIKey is XCHGRSGDBFTKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S/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)26(20,24)25/h1-5,7-9H,6H2,(H,22,23)(H2,20,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide?
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide has a molecular weight of 410.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide is sourced from PubChem (CID 156572300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).