3-bromo-2,4-dichlorobenzenesulfonyl chloride

C6H2BrCl3O2S — CID 56604731

IUPAC3-bromo-2,4-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H2BrCl3O2S/c7-5-3(8)1-2-4(6(5)9)13(10,11)12/h1-2H
InChIKeyKDSCCBGEIBGKMY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.68
Rot. Bonds1

About 3-bromo-2,4-dichlorobenzenesulfonyl chloride

3-bromo-2,4-dichlorobenzenesulfonyl chloride (PubChem CID 56604731) has the molecular formula C6H2BrCl3O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-bromo-2,4-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2,4-dichlorobenzenesulfonyl chloride
PubChem CID56604731
Molecular FormulaC6H2BrCl3O2S
Molecular Weight324.41 g/mol
Exact Mass321.80
IUPAC Name3-bromo-2,4-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H2BrCl3O2S/c7-5-3(8)1-2-4(6(5)9)13(10,11)12/h1-2H
InChIKeyKDSCCBGEIBGKMY-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
4-chloro-2,3-difluorobenzenesulfonyl chloride
CID 131077106
3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
CID 141094776
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)sulfonylbenzene
CID 140967128
2-bromo-3-iodo-4-methylbenzenesulfonyl chloride
CID 154427198
2-bromo-4-chloro-3-methylbenzenesulfonamide
CID 171001870
3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
CID 123478222
2-bromo-3-methyl-4-nitrobenzenesulfonyl chloride
CID 131469695
2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 56604725
2-chloro-4-(2-chlorophenyl)-3-(trichloromethyl)benzenesulfonyl chloride
CID 54494271

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dichlorobenzenesulfonyl chloride?
The IUPAC name of 3-bromo-2,4-dichlorobenzenesulfonyl chloride (CID 56604731) is 3-bromo-2,4-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-2,4-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-2,4-dichlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c(Br)c1Cl.
What is the InChIKey of 3-bromo-2,4-dichlorobenzenesulfonyl chloride?
The InChIKey is KDSCCBGEIBGKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl3O2S/c7-5-3(8)1-2-4(6(5)9)13(10,11)12/h1-2H.
What are the key properties of 3-bromo-2,4-dichlorobenzenesulfonyl chloride?
3-bromo-2,4-dichlorobenzenesulfonyl chloride has a molecular weight of 324.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 56604731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).