3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one

C15H18N2O3S — CID 12605541

IUPAC3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one
SMILESCCN(CC)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3S/c1-3-17(4-2)14-11-10-13(15(18)16-14)21(19,20)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,16,18)
InChIKeyYCFVHRSPEQQKBU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.05
Rot. Bonds5

About 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one

3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one (PubChem CID 12605541) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one
PubChem CID12605541
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one
SMILESCCN(CC)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O3S/c1-3-17(4-2)14-11-10-13(15(18)16-14)21(19,20)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,16,18)
InChIKeyYCFVHRSPEQQKBU-UHFFFAOYSA-N
XLogP2.05
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one (CID 12605541) is 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one is CCN(CC)c1ccc(S(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one?
The InChIKey is YCFVHRSPEQQKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-17(4-2)14-11-10-13(15(18)16-14)21(19,20)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one?
3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-(diethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 12605541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).