2-chloro-6-propylsulfonylpyrazine

C7H9ClN2O2S — CID 177283399

IUPAC2-chloro-6-propylsulfonylpyrazine
SMILESCCCS(=O)(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-3-13(11,12)7-5-9-4-6(8)10-7/h4-5H,2-3H2,1H3
InChIKeyVUNZJTXGUNJWEN-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-6-propylsulfonylpyrazine

2-chloro-6-propylsulfonylpyrazine (PubChem CID 177283399) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-chloro-6-propylsulfonylpyrazine.

Molecular Properties

Compound Name2-chloro-6-propylsulfonylpyrazine
PubChem CID177283399
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-chloro-6-propylsulfonylpyrazine
SMILESCCCS(=O)(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-3-13(11,12)7-5-9-4-6(8)10-7/h4-5H,2-3H2,1H3
InChIKeyVUNZJTXGUNJWEN-UHFFFAOYSA-N
XLogP1.31
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propylsulfonylpyrazine?
The IUPAC name of 2-chloro-6-propylsulfonylpyrazine (CID 177283399) is 2-chloro-6-propylsulfonylpyrazine.
What is the SMILES notation for 2-chloro-6-propylsulfonylpyrazine?
The canonical SMILES for 2-chloro-6-propylsulfonylpyrazine is CCCS(=O)(=O)c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-propylsulfonylpyrazine?
The InChIKey is VUNZJTXGUNJWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-2-3-13(11,12)7-5-9-4-6(8)10-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-6-propylsulfonylpyrazine?
2-chloro-6-propylsulfonylpyrazine has a molecular weight of 220.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propylsulfonylpyrazine is sourced from PubChem (CID 177283399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).