5-(5-hydroxypentyl)thiophene-3-sulfonamide

C9H15NO3S2 — CID 67839474

IUPAC5-(5-hydroxypentyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(CCCCCO)c1
InChIInChI=1S/C9H15NO3S2/c10-15(12,13)9-6-8(14-7-9)4-2-1-3-5-11/h6-7,11H,1-5H2,(H2,10,12,13)
InChIKeyILFVJFZVXSRHRC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.10
Rot. Bonds6

About 5-(5-hydroxypentyl)thiophene-3-sulfonamide

5-(5-hydroxypentyl)thiophene-3-sulfonamide (PubChem CID 67839474) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(5-hydroxypentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(5-hydroxypentyl)thiophene-3-sulfonamide
PubChem CID67839474
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name5-(5-hydroxypentyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(CCCCCO)c1
InChIInChI=1S/C9H15NO3S2/c10-15(12,13)9-6-8(14-7-9)4-2-1-3-5-11/h6-7,11H,1-5H2,(H2,10,12,13)
InChIKeyILFVJFZVXSRHRC-UHFFFAOYSA-N
XLogP1.10
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.10
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 5-(5-hydroxypentyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(5-hydroxypentyl)thiophene-3-sulfonamide (CID 67839474) is 5-(5-hydroxypentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(5-hydroxypentyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(5-hydroxypentyl)thiophene-3-sulfonamide is NS(=O)(=O)c1csc(CCCCCO)c1.
What is the InChIKey of 5-(5-hydroxypentyl)thiophene-3-sulfonamide?
The InChIKey is ILFVJFZVXSRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c10-15(12,13)9-6-8(14-7-9)4-2-1-3-5-11/h6-7,11H,1-5H2,(H2,10,12,13).
What are the key properties of 5-(5-hydroxypentyl)thiophene-3-sulfonamide?
5-(5-hydroxypentyl)thiophene-3-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 67839474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).