5-(1-chloroethenyl)-2-methylsulfonylpyrimidine

C7H7ClN2O2S — CID 13032359

IUPAC5-(1-chloroethenyl)-2-methylsulfonylpyrimidine
SMILESC=C(Cl)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H7ClN2O2S/c1-5(8)6-3-9-7(10-4-6)13(2,11)12/h3-4H,1H2,2H3
InChIKeyDJLMPMADWQLUPF-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.09
Rot. Bonds2

About 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine

5-(1-chloroethenyl)-2-methylsulfonylpyrimidine (PubChem CID 13032359) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-(1-chloroethenyl)-2-methylsulfonylpyrimidine
PubChem CID13032359
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name5-(1-chloroethenyl)-2-methylsulfonylpyrimidine
SMILESC=C(Cl)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H7ClN2O2S/c1-5(8)6-3-9-7(10-4-6)13(2,11)12/h3-4H,1H2,2H3
InChIKeyDJLMPMADWQLUPF-UHFFFAOYSA-N
XLogP1.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine?
The IUPAC name of 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine (CID 13032359) is 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine is C=C(Cl)c1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine?
The InChIKey is DJLMPMADWQLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c1-5(8)6-3-9-7(10-4-6)13(2,11)12/h3-4H,1H2,2H3.
What are the key properties of 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine?
5-(1-chloroethenyl)-2-methylsulfonylpyrimidine has a molecular weight of 218.66 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 13032359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).