4-bromo-3-(trifluoromethyl)benzenesulfonamide

C7H5BrF3NO2S — CID 2778389

IUPAC4-bromo-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3NO2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyGQUUOLHRLZCAIO-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-3-(trifluoromethyl)benzenesulfonamide

4-bromo-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2778389) has the molecular formula C7H5BrF3NO2S and a molecular weight of 304.09 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2778389
Molecular FormulaC7H5BrF3NO2S
Molecular Weight304.09 g/mol
Exact Mass302.92
IUPAC Name4-bromo-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H5BrF3NO2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyGQUUOLHRLZCAIO-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-(trifluoromethyl)benzenesulfonamide (CID 2778389) is 4-bromo-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GQUUOLHRLZCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H2,12,13,14).
What are the key properties of 4-bromo-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-3-(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 4-bromo-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2778389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).