2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C16H16BrFN2O4S — CID 4797677

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H16BrFN2O4S/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-7-6-11(18)8-14(15)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNGPKDQXWUBUHRV-UHFFFAOYSA-N
MW431.28 g/mol
LogP2.86
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4797677) has the molecular formula C16H16BrFN2O4S and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4797677
Molecular FormulaC16H16BrFN2O4S
Molecular Weight431.28 g/mol
Exact Mass430.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H16BrFN2O4S/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-7-6-11(18)8-14(15)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNGPKDQXWUBUHRV-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354027
methyl 3-bromo-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethoxy]benzoate
CID 36531767
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707136
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4533484

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4797677) is 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is NGPKDQXWUBUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O4S/c1-20(2)25(22,23)13-5-3-4-12(9-13)19-16(21)10-24-15-7-6-11(18)8-14(15)17/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 431.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4797677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).