5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide

C13H21ClN2O4S — CID 64606164

IUPAC5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H21ClN2O4S/c1-4-10(5-2)16(6-7-20-3)21(18,19)11-8-12(14)13(17)15-9-11/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyAQIDYBVVJVAJNM-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.85
Rot. Bonds8

About 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide

5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide (PubChem CID 64606164) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
PubChem CID64606164
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H21ClN2O4S/c1-4-10(5-2)16(6-7-20-3)21(18,19)11-8-12(14)13(17)15-9-11/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyAQIDYBVVJVAJNM-UHFFFAOYSA-N
XLogP1.85
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide (CID 64606164) is 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
The InChIKey is AQIDYBVVJVAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O4S/c1-4-10(5-2)16(6-7-20-3)21(18,19)11-8-12(14)13(17)15-9-11/h8-10H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide has a molecular weight of 336.84 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).