2-bromo-4-chloro-6-fluorobenzenesulfonamide

C6H4BrClFNO2S — CID 50998088

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

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

2-bromo-4-chloro-6-fluorobenzenesulfonamide (PubChem CID 50998088) has the molecular formula C6H4BrClFNO2S and a molecular weight of 288.52 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-chloro-6-fluorobenzenesulfonamide
PubChem CID50998088
Molecular FormulaC6H4BrClFNO2S
Molecular Weight288.52 g/mol
Exact Mass286.88
IUPAC Name2-bromo-4-chloro-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C6H4BrClFNO2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyGUHSTTPNPWDEJZ-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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Related Compounds

4-Bromo-2-chlorobenzenesulfonamide
CID 2734764
2-Bromo-4,6-dichlorobenzenesulfonyl chloride
CID 2737467
2-Bromo-4-chlorobenzene-1-sulfonyl chloride
CID 50999527
2-Bromo-3-chlorobenzenesulfonamide
CID 86767842
2-Bromo-6-chloro-4-fluorobenzene-1-sulfonyl chloride
CID 15725380
3-Bromo-5-chlorobenzene-1-sulfonamide
CID 119084222
6-Bromo-3-chloro-2,4-difluorobenzene-1-sulfonamide
CID 165996903
2-Bromo-4-chloro-5-fluorobenzenesulfonyl chloride
CID 44890840
5-Bromo-4-chloro-2-fluorobenzenesulfonamide
CID 124252340
4-Bromo-2-chloro-3-fluorobenzenesulfonamide
CID 166535144
2-bromo-4-chloro-3-fluoro-N-methylbenzenesulfonamide
CID 169790915
5-Bromo-4-chloro-2-fluorobenzenesulfonohydrazide
CID 170964189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-4-chloro-6-fluorobenzenesulfonamide (CID 50998088) is 2-bromo-4-chloro-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-chloro-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-4-chloro-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-6-fluorobenzenesulfonamide?
The InChIKey is GUHSTTPNPWDEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 2-bromo-4-chloro-6-fluorobenzenesulfonamide?
2-bromo-4-chloro-6-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-4-chloro-6-fluorobenzenesulfonamide is sourced from PubChem (CID 50998088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).