2-bromo-5-chloro-4-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 104723143

IUPAC2-bromo-5-chloro-4-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3
InChIKeyGJXKGRFAKWEXHV-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

About 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride

2-bromo-5-chloro-4-methylbenzenesulfonyl chloride (PubChem CID 104723143) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methylbenzenesulfonyl chloride
PubChem CID104723143
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name2-bromo-5-chloro-4-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3
InChIKeyGJXKGRFAKWEXHV-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

4-Bromo-3-chloro-2-methylbenzene-1-sulfonyl chloride
CID 50998046
2-Bromo-4-(chloromethyl)benzenesulfonyl chloride
CID 177800418
4-(Bromomethyl)-3-chlorobenzene-1-sulfonyl chloride
CID 19384965
2,6-Dibromo-3-chloro-4-methylbenzenesulfonic acid
CID 88432767
2-Bromo-3-chloro-4-methylbenzenesulfonic acid
CID 88434584
2-Bromo-6-chloro-4-methylbenzenesulfonyl chloride
CID 132343989
2-Bromo-3-chloro-4-methylbenzenesulfonyl iodide
CID 154173490
3-Bromo-5-chloro-4-methylbenzenesulfonyl chloride
CID 170565395
2-Bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876692
2-Bromo-5-chloro-N,4-dimethylbenzene-1-sulfonamide
CID 50876693
2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
CID 50876697
[(2-Bromo-5-chloro-4-methylphenyl)sulfonyl]dimethylamine
CID 50876698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride (CID 104723143) is 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride is Cc1cc(Br)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The InChIKey is GJXKGRFAKWEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3.
What are the key properties of 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
2-bromo-5-chloro-4-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 2-bromo-5-chloro-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 104723143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).