2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide

C8H4BrF4NO3S — CID 135362392

IUPAC2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C8H4BrF4NO3S/c9-6-3-4(10)1-2-5(6)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyKNPPGZGAHIYZQY-UHFFFAOYSA-N
MW350.09 g/mol
LogP2.17
Rot. Bonds2

About 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide

2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 135362392) has the molecular formula C8H4BrF4NO3S and a molecular weight of 350.09 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
PubChem CID135362392
Molecular FormulaC8H4BrF4NO3S
Molecular Weight350.09 g/mol
Exact Mass348.90
IUPAC Name2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C8H4BrF4NO3S/c9-6-3-4(10)1-2-5(6)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15)
InChIKeyKNPPGZGAHIYZQY-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16780865
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide (CID 135362392) is 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is KNPPGZGAHIYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO3S/c9-6-3-4(10)1-2-5(6)7(15)14-18(16,17)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide?
2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 350.09 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 135362392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).