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

C7H5BrCl2O2S — CID 50998048

IUPAC4-bromo-5-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)6(9)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyAJQBBVFQJBVCJS-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

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

4-bromo-5-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 50998048) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-chloro-2-methylbenzenesulfonyl chloride
PubChem CID50998048
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name4-bromo-5-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)6(9)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyAJQBBVFQJBVCJS-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride (CID 50998048) is 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride is Cc1cc(Br)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is AJQBBVFQJBVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-2-5(8)6(9)3-7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride?
4-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 4-bromo-5-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 50998048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).