1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one

C14H16N2O4S — CID 82899915

IUPAC1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C14H16N2O4S/c1-20-12-10-11(15)5-6-13(12)21(18,19)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyLBEPUDRNHMKQBO-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one

1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one (PubChem CID 82899915) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one
PubChem CID82899915
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C14H16N2O4S/c1-20-12-10-11(15)5-6-13(12)21(18,19)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyLBEPUDRNHMKQBO-UHFFFAOYSA-N
XLogP0.91
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one (CID 82899915) is 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one is COc1cc(N)ccc1S(=O)(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one?
The InChIKey is LBEPUDRNHMKQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-20-12-10-11(15)5-6-13(12)21(18,19)9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one?
1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one has a molecular weight of 308.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one is sourced from PubChem (CID 82899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).