N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide

C13H14N2O3S — CID 118021604

IUPACN-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C13H14N2O3S/c1-15-9-11(6-7-13(15)16)10-4-3-5-12(8-10)14-19(2,17)18/h3-9,14H,1-2H3
InChIKeyXGMNDDLVXPHJHM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.42
Rot. Bonds3

About N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide

N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (PubChem CID 118021604) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
PubChem CID118021604
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C13H14N2O3S/c1-15-9-11(6-7-13(15)16)10-4-3-5-12(8-10)14-19(2,17)18/h3-9,14H,1-2H3
InChIKeyXGMNDDLVXPHJHM-UHFFFAOYSA-N
XLogP1.42
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide (CID 118021604) is N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is Cn1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1=O.
What is the InChIKey of N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
The InChIKey is XGMNDDLVXPHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-9-11(6-7-13(15)16)10-4-3-5-12(8-10)14-19(2,17)18/h3-9,14H,1-2H3.
What are the key properties of N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide?
N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 118021604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).