5-fluoropentane-1-sulfonamide

C5H12FNO2S — CID 90989561

IUPAC5-fluoropentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H2,7,8,9)
InChIKeySPIFZSBAGICLIH-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.41
Rot. Bonds5

About 5-fluoropentane-1-sulfonamide

5-fluoropentane-1-sulfonamide (PubChem CID 90989561) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-fluoropentane-1-sulfonamide.

Molecular Properties

Compound Name5-fluoropentane-1-sulfonamide
PubChem CID90989561
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name5-fluoropentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H2,7,8,9)
InChIKeySPIFZSBAGICLIH-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoropentane-1-sulfonamide?
The IUPAC name of 5-fluoropentane-1-sulfonamide (CID 90989561) is 5-fluoropentane-1-sulfonamide.
What is the SMILES notation for 5-fluoropentane-1-sulfonamide?
The canonical SMILES for 5-fluoropentane-1-sulfonamide is NS(=O)(=O)CCCCCF.
What is the InChIKey of 5-fluoropentane-1-sulfonamide?
The InChIKey is SPIFZSBAGICLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H2,7,8,9).
What are the key properties of 5-fluoropentane-1-sulfonamide?
5-fluoropentane-1-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentane-1-sulfonamide is sourced from PubChem (CID 90989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).