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

C13H13ClN2O4S — CID 64607514

IUPAC5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-20-8-9-4-2-3-5-12(9)16-21(18,19)10-6-11(14)13(17)15-7-10/h2-7,16H,8H2,1H3,(H,15,17)
InChIKeyNRLHKAWNPFVQAC-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.98
Rot. Bonds5

About 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607514) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607514
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-20-8-9-4-2-3-5-12(9)16-21(18,19)10-6-11(14)13(17)15-7-10/h2-7,16H,8H2,1H3,(H,15,17)
InChIKeyNRLHKAWNPFVQAC-UHFFFAOYSA-N
XLogP1.98
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64607514) is 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is COCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is NRLHKAWNPFVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-20-8-9-4-2-3-5-12(9)16-21(18,19)10-6-11(14)13(17)15-7-10/h2-7,16H,8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).