4-bromo-2-chloro-1-methylsulfonylbenzene

C7H6BrClO2S — CID 23093061

IUPAC4-bromo-2-chloro-1-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKeyQOIHZAYTOAGCNP-UHFFFAOYSA-N
MW269.55 g/mol
LogP2.51
Rot. Bonds1

About 4-bromo-2-chloro-1-methylsulfonylbenzene

4-bromo-2-chloro-1-methylsulfonylbenzene (PubChem CID 23093061) has the molecular formula C7H6BrClO2S and a molecular weight of 269.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-methylsulfonylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-methylsulfonylbenzene
PubChem CID23093061
Molecular FormulaC7H6BrClO2S
Molecular Weight269.55 g/mol
Exact Mass267.90
IUPAC Name4-bromo-2-chloro-1-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKeyQOIHZAYTOAGCNP-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine
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4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-methylsulfonylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-methylsulfonylbenzene (CID 23093061) is 4-bromo-2-chloro-1-methylsulfonylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-methylsulfonylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-methylsulfonylbenzene is CS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-methylsulfonylbenzene?
The InChIKey is QOIHZAYTOAGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3.
What are the key properties of 4-bromo-2-chloro-1-methylsulfonylbenzene?
4-bromo-2-chloro-1-methylsulfonylbenzene has a molecular weight of 269.55 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-methylsulfonylbenzene is sourced from PubChem (CID 23093061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).