3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile

C11H6FN3O2S — CID 22662842

IUPAC3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H6FN3O2S/c12-10-7-14-11(9(6-13)15-10)18(16,17)8-4-2-1-3-5-8/h1-5,7H
InChIKeyKYODFEAHNHNJII-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.32
Rot. Bonds2

About 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile

3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile (PubChem CID 22662842) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile
PubChem CID22662842
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H6FN3O2S/c12-10-7-14-11(9(6-13)15-10)18(16,17)8-4-2-1-3-5-8/h1-5,7H
InChIKeyKYODFEAHNHNJII-UHFFFAOYSA-N
XLogP1.32
TPSA83.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile?
The IUPAC name of 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile (CID 22662842) is 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile.
What is the SMILES notation for 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile?
The canonical SMILES for 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile is N#Cc1nc(F)cnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile?
The InChIKey is KYODFEAHNHNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-10-7-14-11(9(6-13)15-10)18(16,17)8-4-2-1-3-5-8/h1-5,7H.
What are the key properties of 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile?
3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile has a molecular weight of 263.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-fluoropyrazine-2-carbonitrile is sourced from PubChem (CID 22662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).