N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide

C15H16N2O4S — CID 15515692

IUPACN-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O4S/c1-12(18)10-17-9-5-8-14(15(17)19)16-22(20,21)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3
InChIKeyXVSPIRNHINYVIN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.38
Rot. Bonds6

About N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide

N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 15515692) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID15515692
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O4S/c1-12(18)10-17-9-5-8-14(15(17)19)16-22(20,21)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3
InChIKeyXVSPIRNHINYVIN-UHFFFAOYSA-N
XLogP1.38
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide (CID 15515692) is N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide is CC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O.
What is the InChIKey of N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The InChIKey is XVSPIRNHINYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-12(18)10-17-9-5-8-14(15(17)19)16-22(20,21)11-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 15515692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).