1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide

C7H14F3NO3S — CID 107847780

IUPAC1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c8-7(9,10)15(13,14)11-5-3-1-2-4-6-12/h11-12H,1-6H2
InChIKeyKJJJTQJRSBPOEL-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.98
Rot. Bonds7

About 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide

1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide (PubChem CID 107847780) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide
PubChem CID107847780
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide
SMILESO=S(=O)(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c8-7(9,10)15(13,14)11-5-3-1-2-4-6-12/h11-12H,1-6H2
InChIKeyKJJJTQJRSBPOEL-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.98
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-(6-hydroxyhexyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide (CID 107847780) is 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide is O=S(=O)(NCCCCCCO)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide?
The InChIKey is KJJJTQJRSBPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c8-7(9,10)15(13,14)11-5-3-1-2-4-6-12/h11-12H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide?
1,1,1-trifluoro-N-(6-hydroxyhexyl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.98, 7 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-(6-hydroxyhexyl)methanesulfonamide is sourced from PubChem (CID 107847780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).