3-bromo-6-chloro-2-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 171001922

IUPAC3-bromo-6-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)ccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-5(8)2-3-6(9)7(4)13(10,11)12/h2-3H,1H3
InChIKeyGGYVMQROTLYWKQ-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

About 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride

3-bromo-6-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 171001922) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-6-chloro-2-methylbenzenesulfonyl chloride
PubChem CID171001922
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name3-bromo-6-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Br)ccc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-5(8)2-3-6(9)7(4)13(10,11)12/h2-3H,1H3
InChIKeyGGYVMQROTLYWKQ-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

5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl chloride
CID 89310806
(2-Bromo-5-chlorophenyl)methanesulfonyl chloride
CID 66157488
(6-Bromo-3-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 117505544
1-Bromo-4-chloro-2-methyl-5-methylsulfonylbenzene
CID 10221442
2-(2-Bromo-5-chlorophenyl)ethanesulfonyl chloride
CID 75412272
3-Bromo-5-chloro-2-methylbenzenesulfonyl chloride
CID 153327466
3-Bromo-4-chloro-2-methylbenzenesulfonic acid
CID 154272990
3-Bromo-2-chloro-4-methylbenzenesulfonyl iodide
CID 154405109
1-Bromo-4-chloro-2-ethynyl-3-methylsulfonylbenzene
CID 166524500
5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 170623542
3-Bromo-4-chloro-2-methylbenzenesulfonyl chloride
CID 171001871
4-Bromo-7-chloro-1-benzothiophene 1,1-dioxide
CID 172075879

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride (CID 171001922) is 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride is Cc1c(Br)ccc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is GGYVMQROTLYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-5(8)2-3-6(9)7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 3-bromo-6-chloro-2-methylbenzenesulfonyl chloride?
3-bromo-6-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-6-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 171001922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).