N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide

C13H14N2O3S — CID 75399754

IUPACN-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=c1cc(CNS(=O)(=O)Cc2ccccc2)cc[nH]1
InChIInChI=1S/C13H14N2O3S/c16-13-8-12(6-7-14-13)9-15-19(17,18)10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,14,16)
InChIKeyQZNMICNHMHOUJI-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.99
Rot. Bonds5

About N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide

N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 75399754) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID75399754
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=c1cc(CNS(=O)(=O)Cc2ccccc2)cc[nH]1
InChIInChI=1S/C13H14N2O3S/c16-13-8-12(6-7-14-13)9-15-19(17,18)10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,14,16)
InChIKeyQZNMICNHMHOUJI-UHFFFAOYSA-N
XLogP0.99
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide (CID 75399754) is N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide is O=c1cc(CNS(=O)(=O)Cc2ccccc2)cc[nH]1.
What is the InChIKey of N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is QZNMICNHMHOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-13-8-12(6-7-14-13)9-15-19(17,18)10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,14,16).
What are the key properties of N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide?
N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-pyridin-4-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 75399754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).