2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C19H17Br2N3O4S — CID 4533484

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)c1
InChIInChI=1S/C19H17Br2N3O4S/c1-24(2)29(26,27)13-6-3-5-12(9-13)23-17(25)11-28-19-16(21)10-15(20)14-7-4-8-22-18(14)19/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyILFBSWYBISNFMO-UHFFFAOYSA-N
MW543.24 g/mol
LogP4.03
Rot. Bonds6

About 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4533484) has the molecular formula C19H17Br2N3O4S and a molecular weight of 543.24 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4533484
Molecular FormulaC19H17Br2N3O4S
Molecular Weight543.24 g/mol
Exact Mass540.93
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)c1
InChIInChI=1S/C19H17Br2N3O4S/c1-24(2)29(26,27)13-6-3-5-12(9-13)23-17(25)11-28-19-16(21)10-15(20)14-7-4-8-22-18(14)19/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyILFBSWYBISNFMO-UHFFFAOYSA-N
XLogP4.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
methyl 3-bromo-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethoxy]benzoate
CID 36531767
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 23767883
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4533484) is 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)c1.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is ILFBSWYBISNFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2N3O4S/c1-24(2)29(26,27)13-6-3-5-12(9-13)23-17(25)11-28-19-16(21)10-15(20)14-7-4-8-22-18(14)19/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 543.24 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4533484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).