N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide

C14H16N2O3S — CID 6488641

IUPACN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
SMILESCc1ccc(Cn2cccc(NS(C)(=O)=O)c2=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-11-5-7-12(8-6-11)10-16-9-3-4-13(14(16)17)15-20(2,18)19/h3-9,15H,10H2,1-2H3
InChIKeyDOVVBTSVTMFINI-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide

N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide (PubChem CID 6488641) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
PubChem CID6488641
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
SMILESCc1ccc(Cn2cccc(NS(C)(=O)=O)c2=O)cc1
InChIInChI=1S/C14H16N2O3S/c1-11-5-7-12(8-6-11)10-16-9-3-4-13(14(16)17)15-20(2,18)19/h3-9,15H,10H2,1-2H3
InChIKeyDOVVBTSVTMFINI-UHFFFAOYSA-N
XLogP1.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide (CID 6488641) is N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide is Cc1ccc(Cn2cccc(NS(C)(=O)=O)c2=O)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide?
The InChIKey is DOVVBTSVTMFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11-5-7-12(8-6-11)10-16-9-3-4-13(14(16)17)15-20(2,18)19/h3-9,15H,10H2,1-2H3.
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide?
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 6488641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).