N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide

C14H16N2O4S — CID 60923418

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCc1ccccc1CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N2O4S/c1-20-10-12-5-3-2-4-11(12)8-16-21(18,19)13-6-7-14(17)15-9-13/h2-7,9,16H,8,10H2,1H3,(H,15,17)
InChIKeyJZOGJQBKASOOBD-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.00
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60923418) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60923418
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCc1ccccc1CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N2O4S/c1-20-10-12-5-3-2-4-11(12)8-16-21(18,19)13-6-7-14(17)15-9-13/h2-7,9,16H,8,10H2,1H3,(H,15,17)
InChIKeyJZOGJQBKASOOBD-UHFFFAOYSA-N
XLogP1.00
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 60923418) is N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide is COCc1ccccc1CNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is JZOGJQBKASOOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-20-10-12-5-3-2-4-11(12)8-16-21(18,19)13-6-7-14(17)15-9-13/h2-7,9,16H,8,10H2,1H3,(H,15,17).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60923418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).