4-bromo-3-methylbenzenesulfonyl chloride

C7H6BrClO2S — CID 2737503

IUPAC4-bromo-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3
InChIKeyJRNDXUKMWFVEIC-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.69
Rot. Bonds1

About 4-bromo-3-methylbenzenesulfonyl chloride

4-bromo-3-methylbenzenesulfonyl chloride (PubChem CID 2737503) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is 4-bromo-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-methylbenzenesulfonyl chloride
PubChem CID2737503
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name4-bromo-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3
InChIKeyJRNDXUKMWFVEIC-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

p-Bromobenzenesulfonyl chloride
CID 7396
4-Bromo-3-methylbenzene-1-thiol
CID 15661105
4-Bromo-3-(trifluoromethyl)benzenesulfonamide
CID 2778389
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
4-Bromo-2,5-dimethylbenzene-1-sulfonyl chloride
CID 50876027
4-Bromo-3-methylbenzenesulfonamide
CID 2737409
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
(2-Bromophenyl)methanesulfonyl chloride
CID 2761452
4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 2778606
5-Bromo-2-methylbenzenesulphonyl chloride
CID 4962163
4-bromo-N,3-dimethylbenzenesulfonamide
CID 8468070
2-Bromo-4-methylbenzene-1-sulfonyl chloride
CID 13394535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-methylbenzenesulfonyl chloride (CID 2737503) is 4-bromo-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1Br.
What is the InChIKey of 4-bromo-3-methylbenzenesulfonyl chloride?
The InChIKey is JRNDXUKMWFVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3.
What are the key properties of 4-bromo-3-methylbenzenesulfonyl chloride?
4-bromo-3-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 4-bromo-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 2737503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).