2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide

C14H14N2O3S — CID 3163424

IUPAC2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-5-7-12(8-6-11)20(18,19)10-14(17)16-13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyPYVMROCJTRELSM-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide

2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide (PubChem CID 3163424) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide
PubChem CID3163424
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-5-7-12(8-6-11)20(18,19)10-14(17)16-13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyPYVMROCJTRELSM-UHFFFAOYSA-N
XLogP1.80
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide (CID 3163424) is 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide?
The InChIKey is PYVMROCJTRELSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11-5-7-12(8-6-11)20(18,19)10-14(17)16-13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide?
2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide has a molecular weight of 290.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 3163424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).