2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide

C7H4BrF4NO2S — CID 131350802

IUPAC2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H4BrF4NO2S/c8-6-4(9)1-3(7(10,11)12)2-5(6)16(13,14)15/h1-2H,(H2,13,14,15)
InChIKeyLOAWFLYLGJUQGL-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.25
Rot. Bonds1

About 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide

2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 131350802) has the molecular formula C7H4BrF4NO2S and a molecular weight of 322.08 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID131350802
Molecular FormulaC7H4BrF4NO2S
Molecular Weight322.08 g/mol
Exact Mass320.91
IUPAC Name2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H4BrF4NO2S/c8-6-4(9)1-3(7(10,11)12)2-5(6)16(13,14)15/h1-2H,(H2,13,14,15)
InChIKeyLOAWFLYLGJUQGL-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

(4-Bromophenyl)difluoromethanesulfonamide
CID 44405186
2-Bromo-4-(trifluoromethyl)benzenesulfonamide
CID 2778398
4-Bromo-3-(trifluoromethyl)benzenesulfonamide
CID 2778389
2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 2778613
2-Bromo-5-methylbenzene-1-sulfonamide
CID 14664790
2-Bromo-5-methylbenzene-1-sulfonyl chloride
CID 15155338
6-Bromo-2-fluoro-3-(trifluoromethyl)benzene-1-sulfonylfluoride
CID 165672541
2-Bromo-4-(difluoromethyl)benzene-1-sulfonamide
CID 167729669
2-Bromo-5-(trifluoromethyl)benzenesulfonamide
CID 2778395
2-bromo-3-(trifluoromethyl)benzenesulfonyl Chloride
CID 2782908
3-Bromo-5-trifluoromethylbenzenesulfonamide
CID 21895504
1-Bromo-4-methyl-2-(trifluoromethylsulfonyl)benzene
CID 23373133

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide (CID 131350802) is 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)cc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LOAWFLYLGJUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO2S/c8-6-4(9)1-3(7(10,11)12)2-5(6)16(13,14)15/h1-2H,(H2,13,14,15).
What are the key properties of 2-bromo-3-fluoro-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-3-fluoro-5-(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-3-fluoro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 131350802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).