N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H20N2O4S — CID 55000270

IUPACN-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O4S/c1-4-10(2)14(7-8-18-3)19(16,17)11-5-6-12(15)13-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,15)
InChIKeyYYUQJUFLBNXBGR-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.81
Rot. Bonds7

About N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 55000270) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID55000270
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H20N2O4S/c1-4-10(2)14(7-8-18-3)19(16,17)11-5-6-12(15)13-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,15)
InChIKeyYYUQJUFLBNXBGR-UHFFFAOYSA-N
XLogP0.81
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 55000270) is N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YYUQJUFLBNXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-10(2)14(7-8-18-3)19(16,17)11-5-6-12(15)13-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 55000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).