2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C7H4BrF4NO2S — CID 171000749

IUPAC2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF4NO2S/c8-6-4(16(13,14)15)2-1-3(9)5(6)7(10,11)12/h1-2H,(H2,13,14,15)
InChIKeyLLLOGZGWEMIJJA-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.25
Rot. Bonds1

About 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 171000749) has the molecular formula C7H4BrF4NO2S and a molecular weight of 322.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID171000749
Molecular FormulaC7H4BrF4NO2S
Molecular Weight322.08 g/mol
Exact Mass320.91
IUPAC Name2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF4NO2S/c8-6-4(16(13,14)15)2-1-3(9)5(6)7(10,11)12/h1-2H,(H2,13,14,15)
InChIKeyLLLOGZGWEMIJJA-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 56604725
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552
4-amino-2-bromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118840543
3-bromo-4-fluoro-2-nitrobenzenesulfonamide
CID 131342277
4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
CID 118848904
4-amino-3-bromo-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118812077
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
4-fluoro-2,3-dimethylbenzenesulfonamide
CID 119014167
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
CID 130924167
2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
CID 134623910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 171000749) is 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LLLOGZGWEMIJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO2S/c8-6-4(16(13,14)15)2-1-3(9)5(6)7(10,11)12/h1-2H,(H2,13,14,15).
What are the key properties of 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.08 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 171000749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).