2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H5BrF5NO2S — CID 60643600

IUPAC2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H5BrF5NO2S/c9-5-1-4(10)2-6(11)7(5)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2
InChIKeyMZUQWJYQXICZJE-UHFFFAOYSA-N
MW354.09 g/mol
LogP2.57
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60643600) has the molecular formula C8H5BrF5NO2S and a molecular weight of 354.09 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60643600
Molecular FormulaC8H5BrF5NO2S
Molecular Weight354.09 g/mol
Exact Mass352.91
IUPAC Name2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(F)cc(F)cc1Br
InChIInChI=1S/C8H5BrF5NO2S/c9-5-1-4(10)2-6(11)7(5)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2
InChIKeyMZUQWJYQXICZJE-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60643600) is 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MZUQWJYQXICZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO2S/c9-5-1-4(10)2-6(11)7(5)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2.
What are the key properties of 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 354.09 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60643600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).