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

C16H17BrFN3O3S — CID 42125792

IUPAC2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN3O3S/c1-21(2)25(23,24)13-5-3-4-12(9-13)20-16(22)10-19-15-7-6-11(17)8-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyAKJJSXAIYWQMEV-UHFFFAOYSA-N
MW430.30 g/mol
LogP2.89
Rot. Bonds6

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

2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 42125792) has the molecular formula C16H17BrFN3O3S and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID42125792
Molecular FormulaC16H17BrFN3O3S
Molecular Weight430.30 g/mol
Exact Mass429.02
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN3O3S/c1-21(2)25(23,24)13-5-3-4-12(9-13)20-16(22)10-19-15-7-6-11(17)8-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyAKJJSXAIYWQMEV-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800340
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 26178371
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 42125792) is 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is AKJJSXAIYWQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O3S/c1-21(2)25(23,24)13-5-3-4-12(9-13)20-16(22)10-19-15-7-6-11(17)8-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 430.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 42125792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).