3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide

C7H14F3NO3S — CID 165111199

IUPAC3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-14-5-2-4-11-15(12,13)6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyRISDOLHRUIEWIN-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.89
Rot. Bonds7

About 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide

3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide (PubChem CID 165111199) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide
PubChem CID165111199
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCNS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-14-5-2-4-11-15(12,13)6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyRISDOLHRUIEWIN-UHFFFAOYSA-N
XLogP0.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide (CID 165111199) is 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide is COCCCNS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
The InChIKey is RISDOLHRUIEWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-14-5-2-4-11-15(12,13)6-3-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-methoxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 165111199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).