N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

C15H18N2O3S — CID 146599953

IUPACN-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C15H18N2O3S/c1-4-21(19,20)16-13-7-5-6-12(9-13)14-10-17(3)15(18)8-11(14)2/h5-10,16H,4H2,1-3H3
InChIKeyXIYQHFFPYCUMSM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.12
Rot. Bonds4

About N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 146599953) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID146599953
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C15H18N2O3S/c1-4-21(19,20)16-13-7-5-6-12(9-13)14-10-17(3)15(18)8-11(14)2/h5-10,16H,4H2,1-3H3
InChIKeyXIYQHFFPYCUMSM-UHFFFAOYSA-N
XLogP2.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 146599953) is N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cn(C)c(=O)cc2C)c1.
What is the InChIKey of N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is XIYQHFFPYCUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-21(19,20)16-13-7-5-6-12(9-13)14-10-17(3)15(18)8-11(14)2/h5-10,16H,4H2,1-3H3.
What are the key properties of N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 146599953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).