3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide

C16H20N2O3S — CID 136572202

IUPAC3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCc1cccn(Cc2cccc(S(=O)(=O)N(C)C)c2)c1=O
InChIInChI=1S/C16H20N2O3S/c1-4-14-8-6-10-18(16(14)19)12-13-7-5-9-15(11-13)22(20,21)17(2)3/h5-11H,4,12H2,1-3H3
InChIKeyLJEHIOJUKGNSNU-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.71
Rot. Bonds5

About 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 136572202) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID136572202
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCc1cccn(Cc2cccc(S(=O)(=O)N(C)C)c2)c1=O
InChIInChI=1S/C16H20N2O3S/c1-4-14-8-6-10-18(16(14)19)12-13-7-5-9-15(11-13)22(20,21)17(2)3/h5-11H,4,12H2,1-3H3
InChIKeyLJEHIOJUKGNSNU-UHFFFAOYSA-N
XLogP1.71
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide (CID 136572202) is 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide is CCc1cccn(Cc2cccc(S(=O)(=O)N(C)C)c2)c1=O.
What is the InChIKey of 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LJEHIOJUKGNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-14-8-6-10-18(16(14)19)12-13-7-5-9-15(11-13)22(20,21)17(2)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 136572202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).