3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride

C7H2BrCl3O3S — CID 116739951

IUPAC3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl
InChIInChI=1S/C7H2BrCl3O3S/c8-5-2-3(15(11,13)14)1-4(6(5)9)7(10)12/h1-2H
InChIKeyBKJOYUHXLDXVTO-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.41
Rot. Bonds2

About 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride

3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride (PubChem CID 116739951) has the molecular formula C7H2BrCl3O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride.

Molecular Properties

Compound Name3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
PubChem CID116739951
Molecular FormulaC7H2BrCl3O3S
Molecular Weight352.42 g/mol
Exact Mass349.80
IUPAC Name3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl
InChIInChI=1S/C7H2BrCl3O3S/c8-5-2-3(15(11,13)14)1-4(6(5)9)7(10)12/h1-2H
InChIKeyBKJOYUHXLDXVTO-UHFFFAOYSA-N
XLogP3.41
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chlorosulfonyl-2-methylbenzoyl chloride
CID 116739996
5-chlorosulfonyl-2,3-dimethylbenzoyl chloride
CID 116739998
5-chlorosulfonyl-2,3-difluorobenzoyl chloride
CID 116739963
methyl 3-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 106751284
3-chloro-5-chlorosulfonyl-2,4-difluorobenzoyl chloride
CID 116739950
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
5-bromo-2,3-dichlorobenzoyl chloride
CID 171032872
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 65371801
3-bromo-2-chloro-5-(1-methylsulfanylpropan-2-ylsulfamoyl)benzoic acid
CID 104655079
4-bromo-3-hydroxybenzenesulfonyl chloride
CID 84809433
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride?
The IUPAC name of 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride (CID 116739951) is 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride.
What is the SMILES notation for 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride?
The canonical SMILES for 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride is O=C(Cl)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride?
The InChIKey is BKJOYUHXLDXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl3O3S/c8-5-2-3(15(11,13)14)1-4(6(5)9)7(10)12/h1-2H.
What are the key properties of 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride?
3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride has a molecular weight of 352.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-chlorosulfonylbenzoyl chloride is sourced from PubChem (CID 116739951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).