2-(3-chloropropylsulfonyl)pyrazine

C7H9ClN2O2S — CID 66128082

IUPAC2-(3-chloropropylsulfonyl)pyrazine
SMILESO=S(=O)(CCCCl)c1cnccn1
InChIInChI=1S/C7H9ClN2O2S/c8-2-1-5-13(11,12)7-6-9-3-4-10-7/h3-4,6H,1-2,5H2
InChIKeyVKWCBRYPAPJLMV-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.88
Rot. Bonds4

About 2-(3-chloropropylsulfonyl)pyrazine

2-(3-chloropropylsulfonyl)pyrazine (PubChem CID 66128082) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonyl)pyrazine.

Molecular Properties

Compound Name2-(3-chloropropylsulfonyl)pyrazine
PubChem CID66128082
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-(3-chloropropylsulfonyl)pyrazine
SMILESO=S(=O)(CCCCl)c1cnccn1
InChIInChI=1S/C7H9ClN2O2S/c8-2-1-5-13(11,12)7-6-9-3-4-10-7/h3-4,6H,1-2,5H2
InChIKeyVKWCBRYPAPJLMV-UHFFFAOYSA-N
XLogP0.88
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfonyl)pyrazine?
The IUPAC name of 2-(3-chloropropylsulfonyl)pyrazine (CID 66128082) is 2-(3-chloropropylsulfonyl)pyrazine.
What is the SMILES notation for 2-(3-chloropropylsulfonyl)pyrazine?
The canonical SMILES for 2-(3-chloropropylsulfonyl)pyrazine is O=S(=O)(CCCCl)c1cnccn1.
What is the InChIKey of 2-(3-chloropropylsulfonyl)pyrazine?
The InChIKey is VKWCBRYPAPJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-2-1-5-13(11,12)7-6-9-3-4-10-7/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-chloropropylsulfonyl)pyrazine?
2-(3-chloropropylsulfonyl)pyrazine has a molecular weight of 220.68 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfonyl)pyrazine is sourced from PubChem (CID 66128082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).