2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C16H17BrN2O4S — CID 7847691

IUPAC2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-5-6-12(10-13)18-16(20)11-23-15-9-4-3-8-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUWDFRNCJOCGCAU-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 7847691) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID7847691
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-5-6-12(10-13)18-16(20)11-23-15-9-4-3-8-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyUWDFRNCJOCGCAU-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
methyl 3-bromo-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethoxy]benzoate
CID 36531767
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707136
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354027
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 7847691) is 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is UWDFRNCJOCGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-19(2)24(21,22)13-7-5-6-12(10-13)18-16(20)11-23-15-9-4-3-8-14(15)17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 413.29 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 7847691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).