1-(benzenesulfonyl)-2,3-dihydropyridin-6-one

C11H11NO3S — CID 86032167

IUPAC1-(benzenesulfonyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyXXMKASPOHUJPKD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.16
Rot. Bonds2

About 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one

1-(benzenesulfonyl)-2,3-dihydropyridin-6-one (PubChem CID 86032167) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-dihydropyridin-6-one
PubChem CID86032167
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1-(benzenesulfonyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2
InChIKeyXXMKASPOHUJPKD-UHFFFAOYSA-N
XLogP1.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one (CID 86032167) is 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one is O=C1C=CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one?
The InChIKey is XXMKASPOHUJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2.
What are the key properties of 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one?
1-(benzenesulfonyl)-2,3-dihydropyridin-6-one has a molecular weight of 237.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 86032167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).