2-bromo-4-(trifluoromethyl)benzenesulfonamide

C7H5BrF3NO2S — CID 2778398

IUPAC2-bromo-4-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyIJUIBMWZUXWVLI-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.12
Rot. Bonds1

About 2-bromo-4-(trifluoromethyl)benzenesulfonamide

2-bromo-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2778398) has the molecular formula C7H5BrF3NO2S and a molecular weight of 304.09 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2778398
Molecular FormulaC7H5BrF3NO2S
Molecular Weight304.09 g/mol
Exact Mass302.92
IUPAC Name2-bromo-4-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKeyIJUIBMWZUXWVLI-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromophenyl-difluoromethanesulfonamide
CID 11687831
(4-Bromophenyl)difluoromethanesulfonamide
CID 44405186
(2-Bromophenyl)difluoromethanesulfonamide
CID 44405179
4-Bromo-3-(trifluoromethyl)benzenesulfonamide
CID 2778389
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride
CID 2778611
4-Bromo-2-(trifluoromethyl)benzenesulfonamide
CID 2778392
2-Bromo-4-methylbenzene-1-sulfonyl chloride
CID 13394535
2-Bromo-6-fluoro-4-methylbenzene-1-sulfonyl chloride
CID 50998053
2-Bromo-4-(trifluoromethyl)benzenesulfonyl fluoride
CID 98462907
2-Bromo-6-methylbenzene-1-sulfonamide
CID 119015332
2-Bromo-6-fluoro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 145913467
Sodium 2-bromo-6-fluoro-4-methylbenzene-1-sulfinate
CID 146155210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-(trifluoromethyl)benzenesulfonamide (CID 2778398) is 2-bromo-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IJUIBMWZUXWVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14).
What are the key properties of 2-bromo-4-(trifluoromethyl)benzenesulfonamide?
2-bromo-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 304.09 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).