N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H18N2O4S — CID 61176073

IUPACN-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-2-3-7-17-8-6-13-18(15,16)10-4-5-11(14)12-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyZJPLTCHRTHKYAB-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.47
Rot. Bonds8

About N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61176073) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61176073
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-2-3-7-17-8-6-13-18(15,16)10-4-5-11(14)12-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyZJPLTCHRTHKYAB-UHFFFAOYSA-N
XLogP0.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 61176073) is N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is CCCCOCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is ZJPLTCHRTHKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-2-3-7-17-8-6-13-18(15,16)10-4-5-11(14)12-9-10/h4-5,9,13H,2-3,6-8H2,1H3,(H,12,14).
What are the key properties of N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61176073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).