3,4-dibromo-2-fluorobenzenesulfonamide

C6H4Br2FNO2S — CID 130822552

IUPAC3,4-dibromo-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Br)c1F
InChIInChI=1S/C6H4Br2FNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyDGGQAHLLRLHPJB-UHFFFAOYSA-N
MW332.98 g/mol
LogP2.00
Rot. Bonds1

About 3,4-dibromo-2-fluorobenzenesulfonamide

3,4-dibromo-2-fluorobenzenesulfonamide (PubChem CID 130822552) has the molecular formula C6H4Br2FNO2S and a molecular weight of 332.98 g/mol. Its IUPAC name is 3,4-dibromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3,4-dibromo-2-fluorobenzenesulfonamide
PubChem CID130822552
Molecular FormulaC6H4Br2FNO2S
Molecular Weight332.98 g/mol
Exact Mass330.83
IUPAC Name3,4-dibromo-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Br)c1F
InChIInChI=1S/C6H4Br2FNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyDGGQAHLLRLHPJB-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-fluorobenzenesulfonamide?
The IUPAC name of 3,4-dibromo-2-fluorobenzenesulfonamide (CID 130822552) is 3,4-dibromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3,4-dibromo-2-fluorobenzenesulfonamide?
The canonical SMILES for 3,4-dibromo-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(Br)c1F.
What is the InChIKey of 3,4-dibromo-2-fluorobenzenesulfonamide?
The InChIKey is DGGQAHLLRLHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2FNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12).
What are the key properties of 3,4-dibromo-2-fluorobenzenesulfonamide?
3,4-dibromo-2-fluorobenzenesulfonamide has a molecular weight of 332.98 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 130822552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).