5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine

C5H3ClF2N2O2S — CID 57320888

IUPAC5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(F)nc(F)c1Cl
InChIInChI=1S/C5H3ClF2N2O2S/c1-13(11,12)4-2(6)3(7)9-5(8)10-4/h1H3
InChIKeyFXCAFUIPXJYRSD-UHFFFAOYSA-N
MW228.61 g/mol
LogP0.81
Rot. Bonds1

About 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine

5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine (PubChem CID 57320888) has the molecular formula C5H3ClF2N2O2S and a molecular weight of 228.61 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine
PubChem CID57320888
Molecular FormulaC5H3ClF2N2O2S
Molecular Weight228.61 g/mol
Exact Mass227.96
IUPAC Name5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(F)nc(F)c1Cl
InChIInChI=1S/C5H3ClF2N2O2S/c1-13(11,12)4-2(6)3(7)9-5(8)10-4/h1H3
InChIKeyFXCAFUIPXJYRSD-UHFFFAOYSA-N
XLogP0.81
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine?
The IUPAC name of 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine (CID 57320888) is 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine.
What is the SMILES notation for 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine?
The canonical SMILES for 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(F)nc(F)c1Cl.
What is the InChIKey of 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine?
The InChIKey is FXCAFUIPXJYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O2S/c1-13(11,12)4-2(6)3(7)9-5(8)10-4/h1H3.
What are the key properties of 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine?
5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine has a molecular weight of 228.61 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-6-methylsulfonylpyrimidine is sourced from PubChem (CID 57320888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).