5-bromo-2-methylbenzenesulfonyl chloride

C7H6BrClO2S — CID 4962163

IUPAC5-bromo-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3
InChIKeyOYSAFEFFWRNQJF-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.69
Rot. Bonds1

About 5-bromo-2-methylbenzenesulfonyl chloride

5-bromo-2-methylbenzenesulfonyl chloride (PubChem CID 4962163) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is 5-bromo-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-methylbenzenesulfonyl chloride
PubChem CID4962163
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name5-bromo-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3
InChIKeyOYSAFEFFWRNQJF-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
m-Bromobenzenesulphonyl chloride
CID 17943
(4-Bromophenyl)methanesulfonyl chloride
CID 598764
4-Bromo-3-methylbenzene-1-sulfonyl chloride
CID 2737503
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
6-Bromobenzo[b]thiophene 1,1-dioxide
CID 69998607
Dibrom-m-xylol-2-sulfochlorid
CID 12548722
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
4-Bromo-2-methanesulfonyl-1-methylbenzene
CID 2761056
4-Bromo-1-(bromomethyl)-2-(methylsulfonyl)benzene
CID 2761074
5-bromo-N,2-dimethylbenzene-1-sulfonamide
CID 8777805
2-Bromo-4-methylbenzene-1-sulfonyl chloride
CID 13394535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-methylbenzenesulfonyl chloride (CID 4962163) is 5-bromo-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-methylbenzenesulfonyl chloride is Cc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-methylbenzenesulfonyl chloride?
The InChIKey is OYSAFEFFWRNQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3.
What are the key properties of 5-bromo-2-methylbenzenesulfonyl chloride?
5-bromo-2-methylbenzenesulfonyl chloride has a molecular weight of 269.55 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 4962163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).