2-hexoxypyridine-3-sulfonamide

C11H18N2O3S — CID 112572977

IUPAC2-hexoxypyridine-3-sulfonamide
SMILESCCCCCCOc1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-2-3-4-5-9-16-11-10(17(12,14)15)7-6-8-13-11/h6-8H,2-5,9H2,1H3,(H2,12,14,15)
InChIKeyFPQTZOCNCFEUEP-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.69
Rot. Bonds7

About 2-hexoxypyridine-3-sulfonamide

2-hexoxypyridine-3-sulfonamide (PubChem CID 112572977) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-hexoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hexoxypyridine-3-sulfonamide
PubChem CID112572977
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-hexoxypyridine-3-sulfonamide
SMILESCCCCCCOc1ncccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-2-3-4-5-9-16-11-10(17(12,14)15)7-6-8-13-11/h6-8H,2-5,9H2,1H3,(H2,12,14,15)
InChIKeyFPQTZOCNCFEUEP-UHFFFAOYSA-N
XLogP1.69
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
CID 112572976
decyl 2-sulfamoylbenzoate
CID 139665617
2,3-didecoxypyridine
CID 151922374
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-pentoxypyridine-3-carbaldehyde
CID 11622489
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
CID 86115167
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(1-propylpyrazol-4-yl)oxypyridine-3-sulfonamide
CID 116800430

Frequently Asked Questions

What is the IUPAC name of 2-hexoxypyridine-3-sulfonamide?
The IUPAC name of 2-hexoxypyridine-3-sulfonamide (CID 112572977) is 2-hexoxypyridine-3-sulfonamide.
What is the SMILES notation for 2-hexoxypyridine-3-sulfonamide?
The canonical SMILES for 2-hexoxypyridine-3-sulfonamide is CCCCCCOc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-hexoxypyridine-3-sulfonamide?
The InChIKey is FPQTZOCNCFEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-3-4-5-9-16-11-10(17(12,14)15)7-6-8-13-11/h6-8H,2-5,9H2,1H3,(H2,12,14,15).
What are the key properties of 2-hexoxypyridine-3-sulfonamide?
2-hexoxypyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxypyridine-3-sulfonamide is sourced from PubChem (CID 112572977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).