2-bromo-4-fluorobenzenesulfonamide

C6H5BrFNO2S — CID 2778403

IUPAC2-bromo-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C6H5BrFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFEUDPWHDKUOLBW-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.24
Rot. Bonds1

About 2-bromo-4-fluorobenzenesulfonamide

2-bromo-4-fluorobenzenesulfonamide (PubChem CID 2778403) has the molecular formula C6H5BrFNO2S and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluorobenzenesulfonamide
PubChem CID2778403
Molecular FormulaC6H5BrFNO2S
Molecular Weight254.08 g/mol
Exact Mass252.92
IUPAC Name2-bromo-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C6H5BrFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFEUDPWHDKUOLBW-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluorobenzenesulfonamide (CID 2778403) is 2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is FEUDPWHDKUOLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 2-bromo-4-fluorobenzenesulfonamide?
2-bromo-4-fluorobenzenesulfonamide has a molecular weight of 254.08 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2778403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).