N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide

C17H16N2O4S — CID 59438336

IUPACN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C17H16N2O4S/c1-11(20)19-24(22,23)17-7-3-5-15(18-17)13-9-8-12-4-2-6-16(21)14(12)10-13/h3,5,7-10H,2,4,6H2,1H3,(H,19,20)
InChIKeyJEJOFONEUSOHBB-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.09
Rot. Bonds3

About N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide

N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide (PubChem CID 59438336) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide
PubChem CID59438336
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C17H16N2O4S/c1-11(20)19-24(22,23)17-7-3-5-15(18-17)13-9-8-12-4-2-6-16(21)14(12)10-13/h3,5,7-10H,2,4,6H2,1H3,(H,19,20)
InChIKeyJEJOFONEUSOHBB-UHFFFAOYSA-N
XLogP2.09
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide (CID 59438336) is N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1.
What is the InChIKey of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide?
The InChIKey is JEJOFONEUSOHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(20)19-24(22,23)17-7-3-5-15(18-17)13-9-8-12-4-2-6-16(21)14(12)10-13/h3,5,7-10H,2,4,6H2,1H3,(H,19,20).
What are the key properties of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide?
N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 59438336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).