(4-bromo-2-methylphenyl)methanesulfonyl chloride

C8H8BrClO2S — CID 83746448

IUPAC(4-bromo-2-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(Br)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3
InChIKeyKCPOAWGNCBKOOI-UHFFFAOYSA-N
MW283.57 g/mol
LogP2.83
Rot. Bonds2

About (4-bromo-2-methylphenyl)methanesulfonyl chloride

(4-bromo-2-methylphenyl)methanesulfonyl chloride (PubChem CID 83746448) has the molecular formula C8H8BrClO2S and a molecular weight of 283.57 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)methanesulfonyl chloride
PubChem CID83746448
Molecular FormulaC8H8BrClO2S
Molecular Weight283.57 g/mol
Exact Mass281.91
IUPAC Name(4-bromo-2-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(Br)ccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H8BrClO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3
InChIKeyKCPOAWGNCBKOOI-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-bromo-2-methylphenyl)methanesulfonyl chloride (CID 83746448) is (4-bromo-2-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-bromo-2-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-bromo-2-methylphenyl)methanesulfonyl chloride is Cc1cc(Br)ccc1CS(=O)(=O)Cl.
What is the InChIKey of (4-bromo-2-methylphenyl)methanesulfonyl chloride?
The InChIKey is KCPOAWGNCBKOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)methanesulfonyl chloride?
(4-bromo-2-methylphenyl)methanesulfonyl chloride has a molecular weight of 283.57 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 83746448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).