5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide

C11H15ClN2O4S — CID 64607305

IUPAC5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-14(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyAAWYQDXQXQVBMT-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.83
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607305) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607305
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-14(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyAAWYQDXQXQVBMT-UHFFFAOYSA-N
XLogP0.83
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64607305) is 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is AAWYQDXQXQVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-14(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15).
What are the key properties of 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 306.77 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).