2-benzylsulfonyl-N-pyridin-3-ylacetamide

C14H14N2O3S — CID 901250

IUPAC2-benzylsulfonyl-N-pyridin-3-ylacetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C14H14N2O3S/c17-14(16-13-7-4-8-15-9-13)11-20(18,19)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
InChIKeyVJXUKNIEFHGECA-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.64
Rot. Bonds5

About 2-benzylsulfonyl-N-pyridin-3-ylacetamide

2-benzylsulfonyl-N-pyridin-3-ylacetamide (PubChem CID 901250) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-pyridin-3-ylacetamide
PubChem CID901250
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-benzylsulfonyl-N-pyridin-3-ylacetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C14H14N2O3S/c17-14(16-13-7-4-8-15-9-13)11-20(18,19)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17)
InChIKeyVJXUKNIEFHGECA-UHFFFAOYSA-N
XLogP1.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-benzylsulfonyl-N-pyridin-3-ylacetamide (CID 901250) is 2-benzylsulfonyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-benzylsulfonyl-N-pyridin-3-ylacetamide is O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1.
What is the InChIKey of 2-benzylsulfonyl-N-pyridin-3-ylacetamide?
The InChIKey is VJXUKNIEFHGECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-14(16-13-7-4-8-15-9-13)11-20(18,19)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-benzylsulfonyl-N-pyridin-3-ylacetamide?
2-benzylsulfonyl-N-pyridin-3-ylacetamide has a molecular weight of 290.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 901250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).