2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine

C6H5ClF2N2O2S — CID 22158540

IUPAC2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine
SMILESCCS(=O)(=O)c1c(F)nc(Cl)nc1F
InChIInChI=1S/C6H5ClF2N2O2S/c1-2-14(12,13)3-4(8)10-6(7)11-5(3)9/h2H2,1H3
InChIKeyLPURDPUQIUZPJZ-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.20
Rot. Bonds2

About 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine

2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine (PubChem CID 22158540) has the molecular formula C6H5ClF2N2O2S and a molecular weight of 242.63 g/mol. Its IUPAC name is 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine.

Molecular Properties

Compound Name2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine
PubChem CID22158540
Molecular FormulaC6H5ClF2N2O2S
Molecular Weight242.63 g/mol
Exact Mass241.97
IUPAC Name2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine
SMILESCCS(=O)(=O)c1c(F)nc(Cl)nc1F
InChIInChI=1S/C6H5ClF2N2O2S/c1-2-14(12,13)3-4(8)10-6(7)11-5(3)9/h2H2,1H3
InChIKeyLPURDPUQIUZPJZ-UHFFFAOYSA-N
XLogP1.20
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine?
The IUPAC name of 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine (CID 22158540) is 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine.
What is the SMILES notation for 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine?
The canonical SMILES for 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine is CCS(=O)(=O)c1c(F)nc(Cl)nc1F.
What is the InChIKey of 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine?
The InChIKey is LPURDPUQIUZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O2S/c1-2-14(12,13)3-4(8)10-6(7)11-5(3)9/h2H2,1H3.
What are the key properties of 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine?
2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine has a molecular weight of 242.63 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethylsulfonyl-4,6-difluoropyrimidine is sourced from PubChem (CID 22158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).