4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine

C6H5Cl2FN2O2S — CID 165347476

IUPAC4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine
SMILESCCS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O2S/c1-2-14(12,13)6-10-4(7)3(9)5(8)11-6/h2H2,1H3
InChIKeyCVGPPEJTLJHXEL-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.72
Rot. Bonds2

About 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine

4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine (PubChem CID 165347476) has the molecular formula C6H5Cl2FN2O2S and a molecular weight of 259.09 g/mol. Its IUPAC name is 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine
PubChem CID165347476
Molecular FormulaC6H5Cl2FN2O2S
Molecular Weight259.09 g/mol
Exact Mass257.94
IUPAC Name4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine
SMILESCCS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O2S/c1-2-14(12,13)6-10-4(7)3(9)5(8)11-6/h2H2,1H3
InChIKeyCVGPPEJTLJHXEL-UHFFFAOYSA-N
XLogP1.72
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-5-methyl-2-(methylsulfonyl)pyrimidine
CID 57757768
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
2-Chloro-5-ethylsulfonyl-4,6-difluoropyrimidine
CID 22158540
2,4-Dichloro-6-fluoro-5-methylsulfonylpyrimidine
CID 22158572
5-Chloro-2,4-difluoro-6-methylsulfonylpyrimidine
CID 57320888
2,4-Dichloro-5-fluoro-6-methylsulfonylpyrimidine
CID 88684757
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
(4,6-Dichloro-5-fluoropyrimidin-2-yl) methanesulfonate
CID 122590224
6-Chloro-5-fluoro-2-methanesulfonylpyrimidin-4-amine
CID 129164603
4,6-Dichloro-5-fluoro-2-methylsulfonylpyrimidin-1-ium
CID 144633469
(4,6-Dichloro-5-fluoropyrimidin-2-yl)methanesulfinate
CID 174763356

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine (CID 165347476) is 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine is CCS(=O)(=O)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine?
The InChIKey is CVGPPEJTLJHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2O2S/c1-2-14(12,13)6-10-4(7)3(9)5(8)11-6/h2H2,1H3.
What are the key properties of 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine?
4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine has a molecular weight of 259.09 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethylsulfonyl-5-fluoropyrimidine is sourced from PubChem (CID 165347476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).