4-chloro-5-methylsulfonylpyrimidine

C5H5ClN2O2S — CID 105446605

IUPAC4-chloro-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cncnc1Cl
InChIInChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3
InChIKeyHTWBPWLVJAOGMN-UHFFFAOYSA-N
MW192.63 g/mol
LogP0.53
Rot. Bonds1

About 4-chloro-5-methylsulfonylpyrimidine

4-chloro-5-methylsulfonylpyrimidine (PubChem CID 105446605) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is 4-chloro-5-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methylsulfonylpyrimidine
PubChem CID105446605
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Name4-chloro-5-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cncnc1Cl
InChIInChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3
InChIKeyHTWBPWLVJAOGMN-UHFFFAOYSA-N
XLogP0.53
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylsulfonylpyrimidine?
The IUPAC name of 4-chloro-5-methylsulfonylpyrimidine (CID 105446605) is 4-chloro-5-methylsulfonylpyrimidine.
What is the SMILES notation for 4-chloro-5-methylsulfonylpyrimidine?
The canonical SMILES for 4-chloro-5-methylsulfonylpyrimidine is CS(=O)(=O)c1cncnc1Cl.
What is the InChIKey of 4-chloro-5-methylsulfonylpyrimidine?
The InChIKey is HTWBPWLVJAOGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3.
What are the key properties of 4-chloro-5-methylsulfonylpyrimidine?
4-chloro-5-methylsulfonylpyrimidine has a molecular weight of 192.63 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylsulfonylpyrimidine is sourced from PubChem (CID 105446605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).