3-bromo-5-chloro-2-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 153327466

IUPAC3-bromo-5-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyVOQNUWYIKZPIFN-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

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

3-bromo-5-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 153327466) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methylbenzenesulfonyl chloride
PubChem CID153327466
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name3-bromo-5-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)cc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyVOQNUWYIKZPIFN-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
3-Bromo-5-chloro-2-fluoro-6-methylbenzenesulfonyl chloride
CID 162727820
4-Bromo-5-chloro-2-methylbenzene-1-sulfonyl fluoride
CID 165790746
4-Bromo-5-chloro-2-methylbenzenesulfonyl chloride
CID 50998048
3-Bromo-5-chloro-4-methylbenzenesulfonic acid
CID 54235186
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
3-Bromo-5-chloro-4-methylbenzenesulfonyl chloride
CID 170565395
3-Bromo-4-chloro-2-methylbenzenesulfonyl chloride
CID 171001871
4-Bromo-2-chloro-5-methylbenzenesulfonyl chloride
CID 50876055
3-Bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
3-Bromo-5-chloro-2-methylbenzene-1-thiol
CID 91874683
3-Bromo-5-chloro-2-cyanobenzenesulfonyl chloride
CID 130837661

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride (CID 153327466) is 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride is Cc1c(Br)cc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is VOQNUWYIKZPIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
3-bromo-5-chloro-2-methylbenzenesulfonyl chloride has a molecular weight of 303.99 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 153327466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).