2,4-dibromo-6-methylbenzenesulfonyl chloride

C7H5Br2ClO2S — CID 91678308

IUPAC2,4-dibromo-6-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)cc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Br2ClO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3
InChIKeyKFVYSWMUVSDTHU-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.45
Rot. Bonds1

About 2,4-dibromo-6-methylbenzenesulfonyl chloride

2,4-dibromo-6-methylbenzenesulfonyl chloride (PubChem CID 91678308) has the molecular formula C7H5Br2ClO2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,4-dibromo-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dibromo-6-methylbenzenesulfonyl chloride
PubChem CID91678308
Molecular FormulaC7H5Br2ClO2S
Molecular Weight348.44 g/mol
Exact Mass345.81
IUPAC Name2,4-dibromo-6-methylbenzenesulfonyl chloride
SMILESCc1cc(Br)cc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Br2ClO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3
InChIKeyKFVYSWMUVSDTHU-UHFFFAOYSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylbenzenesulfonyl chloride?
The IUPAC name of 2,4-dibromo-6-methylbenzenesulfonyl chloride (CID 91678308) is 2,4-dibromo-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dibromo-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2,4-dibromo-6-methylbenzenesulfonyl chloride is Cc1cc(Br)cc(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 2,4-dibromo-6-methylbenzenesulfonyl chloride?
The InChIKey is KFVYSWMUVSDTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2ClO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 2,4-dibromo-6-methylbenzenesulfonyl chloride?
2,4-dibromo-6-methylbenzenesulfonyl chloride has a molecular weight of 348.44 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 91678308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).