4-bromo-2,3-dimethylbenzenesulfonyl chloride

C8H8BrClO2S — CID 22889238

IUPAC4-bromo-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1c(Br)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8BrClO2S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,1-2H3
InChIKeyFJAKQMPZWFIBMM-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.99
Rot. Bonds1

About 4-bromo-2,3-dimethylbenzenesulfonyl chloride

4-bromo-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 22889238) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is 4-bromo-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2,3-dimethylbenzenesulfonyl chloride
PubChem CID22889238
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name4-bromo-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1c(Br)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C8H8BrClO2S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,1-2H3
InChIKeyFJAKQMPZWFIBMM-UHFFFAOYSA-N
XLogP2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromonaphthalene-1-sulfonyl Chloride
CID 2757076
(4-Bromo-2,3-dimethylphenyl)(methyl)sulfane
CID 18757276
4-Bromo-3-methylbenzene-1-sulfonyl chloride
CID 2737503
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
4-Bromo-2,5-dimethylbenzene-1-sulfonyl chloride
CID 50876027
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
4-Bromo-2,3,5,6-tetramethylbenzenesulfonyl chloride
CID 13950732
4-Bromo-2,3-dimethylbenzene-1-sulfonamide
CID 21938548
4-Bromo-2-(propan-2-yl)benzene-1-sulfonyl chloride
CID 82708090
4-Bromo-3,5-dimethylbenzene-1-sulfonyl chloride
CID 84812737
4-Bromo-3-ethylbenzenesulfonyl chloride
CID 91800297
3-Bromo-4,5-dimethylbenzene-1-sulfonyl chloride
CID 50987615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2,3-dimethylbenzenesulfonyl chloride (CID 22889238) is 4-bromo-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2,3-dimethylbenzenesulfonyl chloride is Cc1c(Br)ccc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 4-bromo-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is FJAKQMPZWFIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,1-2H3.
What are the key properties of 4-bromo-2,3-dimethylbenzenesulfonyl chloride?
4-bromo-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 283.57 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 22889238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).