6-bromo-2-chloro-3-fluorobenzenesulfonamide

C6H4BrClFNO2S — CID 131622391

IUPAC6-bromo-2-chloro-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(9)5(8)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyVFEIPSLKFNUDGU-UHFFFAOYSA-N
MW288.52 g/mol
LogP1.89
Rot. Bonds1

About 6-bromo-2-chloro-3-fluorobenzenesulfonamide

6-bromo-2-chloro-3-fluorobenzenesulfonamide (PubChem CID 131622391) has the molecular formula C6H4BrClFNO2S and a molecular weight of 288.52 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name6-bromo-2-chloro-3-fluorobenzenesulfonamide
PubChem CID131622391
Molecular FormulaC6H4BrClFNO2S
Molecular Weight288.52 g/mol
Exact Mass286.88
IUPAC Name6-bromo-2-chloro-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1Cl
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(9)5(8)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyVFEIPSLKFNUDGU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-fluorobenzenesulfonamide?
The IUPAC name of 6-bromo-2-chloro-3-fluorobenzenesulfonamide (CID 131622391) is 6-bromo-2-chloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for 6-bromo-2-chloro-3-fluorobenzenesulfonamide?
The canonical SMILES for 6-bromo-2-chloro-3-fluorobenzenesulfonamide is NS(=O)(=O)c1c(Br)ccc(F)c1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-fluorobenzenesulfonamide?
The InChIKey is VFEIPSLKFNUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(9)5(8)6(3)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 6-bromo-2-chloro-3-fluorobenzenesulfonamide?
6-bromo-2-chloro-3-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 6-bromo-2-chloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 131622391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).