2-decan-3-yl-4-methoxypyridine-3-sulfonamide

C16H28N2O3S — CID 67127047

IUPAC2-decan-3-yl-4-methoxypyridine-3-sulfonamide
SMILESCCCCCCCC(CC)c1nccc(OC)c1S(N)(=O)=O
InChIInChI=1S/C16H28N2O3S/c1-4-6-7-8-9-10-13(5-2)15-16(22(17,19)20)14(21-3)11-12-18-15/h11-13H,4-10H2,1-3H3,(H2,17,19,20)
InChIKeyLTTFQLOTJVCDOM-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.59
Rot. Bonds10

About 2-decan-3-yl-4-methoxypyridine-3-sulfonamide

2-decan-3-yl-4-methoxypyridine-3-sulfonamide (PubChem CID 67127047) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-decan-3-yl-4-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name2-decan-3-yl-4-methoxypyridine-3-sulfonamide
PubChem CID67127047
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-decan-3-yl-4-methoxypyridine-3-sulfonamide
SMILESCCCCCCCC(CC)c1nccc(OC)c1S(N)(=O)=O
InChIInChI=1S/C16H28N2O3S/c1-4-6-7-8-9-10-13(5-2)15-16(22(17,19)20)14(21-3)11-12-18-15/h11-13H,4-10H2,1-3H3,(H2,17,19,20)
InChIKeyLTTFQLOTJVCDOM-UHFFFAOYSA-N
XLogP3.59
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-decan-3-yl-4-methoxypyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-decan-3-yl-4-methoxypyridine-3-sulfonamide?
The IUPAC name of 2-decan-3-yl-4-methoxypyridine-3-sulfonamide (CID 67127047) is 2-decan-3-yl-4-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 2-decan-3-yl-4-methoxypyridine-3-sulfonamide?
The canonical SMILES for 2-decan-3-yl-4-methoxypyridine-3-sulfonamide is CCCCCCCC(CC)c1nccc(OC)c1S(N)(=O)=O.
What is the InChIKey of 2-decan-3-yl-4-methoxypyridine-3-sulfonamide?
The InChIKey is LTTFQLOTJVCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-6-7-8-9-10-13(5-2)15-16(22(17,19)20)14(21-3)11-12-18-15/h11-13H,4-10H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-decan-3-yl-4-methoxypyridine-3-sulfonamide?
2-decan-3-yl-4-methoxypyridine-3-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-3-yl-4-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 67127047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).