1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide

C6H12F3NO3S — CID 107319394

IUPAC1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c7-6(8,9)14(12,13)10-4-2-1-3-5-11/h10-11H,1-5H2
InChIKeyBLWRFHHRTOQLFX-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.59
Rot. Bonds6

About 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide

1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide (PubChem CID 107319394) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide
PubChem CID107319394
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC Name1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c7-6(8,9)14(12,13)10-4-2-1-3-5-11/h10-11H,1-5H2
InChIKeyBLWRFHHRTOQLFX-UHFFFAOYSA-N
XLogP0.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide (CID 107319394) is 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide is O=S(=O)(NCCCCCO)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide?
The InChIKey is BLWRFHHRTOQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c7-6(8,9)14(12,13)10-4-2-1-3-5-11/h10-11H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide?
1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-hydroxypentyl)methanesulfonamide is sourced from PubChem (CID 107319394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).