4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide

C8H3BrF5NO3S — CID 155621555

IUPAC4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H3BrF5NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16)
InChIKeyJBIHWENRBVFDLT-UHFFFAOYSA-N
MW368.08 g/mol
LogP2.31
Rot. Bonds2

About 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide

4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 155621555) has the molecular formula C8H3BrF5NO3S and a molecular weight of 368.08 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide
PubChem CID155621555
Molecular FormulaC8H3BrF5NO3S
Molecular Weight368.08 g/mol
Exact Mass366.89
IUPAC Name4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H3BrF5NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16)
InChIKeyJBIHWENRBVFDLT-UHFFFAOYSA-N
XLogP2.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.08
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 155621282
2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 135362392
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-one
CID 114976545
4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
CID 114310689
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
4-bromo-N-but-3-yn-2-yl-2,6-difluorobenzamide
CID 114389970
5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene
CID 18935729
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
4-bromo-2,6-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103747096
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide (CID 155621555) is 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is JBIHWENRBVFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16).
What are the key properties of 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide?
4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 368.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 155621555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).