2-chloro-1-fluoro-4-methylsulfonylbenzene

C7H6ClFO2S — CID 21340880

IUPAC2-chloro-1-fluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyQJUXXQFUEROZHT-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.88
Rot. Bonds1

About 2-chloro-1-fluoro-4-methylsulfonylbenzene

2-chloro-1-fluoro-4-methylsulfonylbenzene (PubChem CID 21340880) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methylsulfonylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methylsulfonylbenzene
PubChem CID21340880
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name2-chloro-1-fluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKeyQJUXXQFUEROZHT-UHFFFAOYSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methylsulfonylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methylsulfonylbenzene (CID 21340880) is 2-chloro-1-fluoro-4-methylsulfonylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methylsulfonylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methylsulfonylbenzene is CS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-methylsulfonylbenzene?
The InChIKey is QJUXXQFUEROZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methylsulfonylbenzene?
2-chloro-1-fluoro-4-methylsulfonylbenzene has a molecular weight of 208.64 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-methylsulfonylbenzene is sourced from PubChem (CID 21340880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).