2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine

C9H13ClN4O2S — CID 47294923

IUPAC2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine
SMILESCS(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3
InChIKeyYCQQYDHQTVXQTG-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.21
Rot. Bonds2

About 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine

2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine (PubChem CID 47294923) has the molecular formula C9H13ClN4O2S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine
PubChem CID47294923
Molecular FormulaC9H13ClN4O2S
Molecular Weight276.75 g/mol
Exact Mass276.04
IUPAC Name2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine
SMILESCS(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3
InChIKeyYCQQYDHQTVXQTG-UHFFFAOYSA-N
XLogP0.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine (CID 47294923) is 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine is CS(=O)(=O)N1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine?
The InChIKey is YCQQYDHQTVXQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S/c1-17(15,16)14-4-2-13(3-5-14)9-7-11-6-8(10)12-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine?
2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine has a molecular weight of 276.75 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 47294923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).