2-pyridin-2-ylsulfonylacetonitrile

C7H6N2O2S — CID 519355

IUPAC2-pyridin-2-ylsulfonylacetonitrile
SMILESN#CCS(=O)(=O)c1ccccn1
InChIInChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2
InChIKeySAKACXZDAJXBCI-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.38
Rot. Bonds2

About 2-pyridin-2-ylsulfonylacetonitrile

2-pyridin-2-ylsulfonylacetonitrile (PubChem CID 519355) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfonylacetonitrile.

Molecular Properties

Compound Name2-pyridin-2-ylsulfonylacetonitrile
PubChem CID519355
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2-pyridin-2-ylsulfonylacetonitrile
SMILESN#CCS(=O)(=O)c1ccccn1
InChIInChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2
InChIKeySAKACXZDAJXBCI-UHFFFAOYSA-N
XLogP0.38
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfonylacetonitrile?
The IUPAC name of 2-pyridin-2-ylsulfonylacetonitrile (CID 519355) is 2-pyridin-2-ylsulfonylacetonitrile.
What is the SMILES notation for 2-pyridin-2-ylsulfonylacetonitrile?
The canonical SMILES for 2-pyridin-2-ylsulfonylacetonitrile is N#CCS(=O)(=O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfonylacetonitrile?
The InChIKey is SAKACXZDAJXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c8-4-6-12(10,11)7-3-1-2-5-9-7/h1-3,5H,6H2.
What are the key properties of 2-pyridin-2-ylsulfonylacetonitrile?
2-pyridin-2-ylsulfonylacetonitrile has a molecular weight of 182.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfonylacetonitrile is sourced from PubChem (CID 519355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).