2-bromo-6-chloro-4-fluorobenzenesulfonamide

C6H4BrClFNO2S — CID 50998089

IUPAC2-bromo-6-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C6H4BrClFNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyYJQIWWMPGTYXSX-UHFFFAOYSA-N
MW288.52 g/mol
LogP1.89
Rot. Bonds1

About 2-bromo-6-chloro-4-fluorobenzenesulfonamide

2-bromo-6-chloro-4-fluorobenzenesulfonamide (PubChem CID 50998089) has the molecular formula C6H4BrClFNO2S and a molecular weight of 288.52 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluorobenzenesulfonamide
PubChem CID50998089
Molecular FormulaC6H4BrClFNO2S
Molecular Weight288.52 g/mol
Exact Mass286.88
IUPAC Name2-bromo-6-chloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C6H4BrClFNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyYJQIWWMPGTYXSX-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-6-chloro-4-fluorobenzenesulfonamide (CID 50998089) is 2-bromo-6-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-6-chloro-4-fluorobenzenesulfonamide is NS(=O)(=O)c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-fluorobenzenesulfonamide?
The InChIKey is YJQIWWMPGTYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 2-bromo-6-chloro-4-fluorobenzenesulfonamide?
2-bromo-6-chloro-4-fluorobenzenesulfonamide has a molecular weight of 288.52 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 50998089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).