2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide

C14H14N2O3S — CID 2987868

IUPAC2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c1-11-6-5-9-13(15-11)16-14(17)10-20(18,19)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyWJNBQZHNHZURII-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.80
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide

2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 2987868) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID2987868
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c1-11-6-5-9-13(15-11)16-14(17)10-20(18,19)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyWJNBQZHNHZURII-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-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide (CID 2987868) is 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is WJNBQZHNHZURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11-6-5-9-13(15-11)16-14(17)10-20(18,19)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of 2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide 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-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 2987868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).