5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H21ClN2O3S — CID 64606732

IUPAC5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H21ClN2O3S/c1-4-10(5-2)9-16(6-3)20(18,19)11-7-12(14)13(17)15-8-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyFLGOWRMIAXQBEX-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.48
Rot. Bonds7

About 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606732) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606732
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H21ClN2O3S/c1-4-10(5-2)9-16(6-3)20(18,19)11-7-12(14)13(17)15-8-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyFLGOWRMIAXQBEX-UHFFFAOYSA-N
XLogP2.48
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606732) is 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FLGOWRMIAXQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-4-10(5-2)9-16(6-3)20(18,19)11-7-12(14)13(17)15-8-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).