4-bromo-3-chloro-2-fluorobenzenesulfonamide

C6H4BrClFNO2S — CID 50998105

IUPAC4-bromo-3-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyNQHLPDSDGOCFQU-UHFFFAOYSA-N
MW288.53 g/mol
LogP1.89
Rot. Bonds1

About 4-bromo-3-chloro-2-fluorobenzenesulfonamide

4-bromo-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 50998105) has the molecular formula C6H4BrClFNO2S and a molecular weight of 288.53 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-2-fluorobenzenesulfonamide
PubChem CID50998105
Molecular FormulaC6H4BrClFNO2S
Molecular Weight288.53 g/mol
Exact Mass286.88
IUPAC Name4-bromo-3-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C6H4BrClFNO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyNQHLPDSDGOCFQU-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 ≤ 500288.53
LogP ≤ 51.89
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 4-bromo-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-2-fluorobenzenesulfonamide (CID 50998105) is 4-bromo-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 4-bromo-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is NQHLPDSDGOCFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO2S/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 4-bromo-3-chloro-2-fluorobenzenesulfonamide?
4-bromo-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 288.53 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 4-bromo-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 50998105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).