5-(2,2-difluoroethoxy)pentane-1-sulfonamide

C7H15F2NO3S — CID 82009782

IUPAC5-(2,2-difluoroethoxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOCC(F)F
InChIInChI=1S/C7H15F2NO3S/c8-7(9)6-13-4-2-1-3-5-14(10,11)12/h7H,1-6H2,(H2,10,11,12)
InChIKeyIRGKQQXLUQEKLE-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.73
Rot. Bonds8

About 5-(2,2-difluoroethoxy)pentane-1-sulfonamide

5-(2,2-difluoroethoxy)pentane-1-sulfonamide (PubChem CID 82009782) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pentane-1-sulfonamide
PubChem CID82009782
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC Name5-(2,2-difluoroethoxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOCC(F)F
InChIInChI=1S/C7H15F2NO3S/c8-7(9)6-13-4-2-1-3-5-14(10,11)12/h7H,1-6H2,(H2,10,11,12)
InChIKeyIRGKQQXLUQEKLE-UHFFFAOYSA-N
XLogP0.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.73
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 5-(2,2-difluoroethoxy)pentane-1-sulfonamide?
The IUPAC name of 5-(2,2-difluoroethoxy)pentane-1-sulfonamide (CID 82009782) is 5-(2,2-difluoroethoxy)pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pentane-1-sulfonamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)pentane-1-sulfonamide is NS(=O)(=O)CCCCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)pentane-1-sulfonamide?
The InChIKey is IRGKQQXLUQEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c8-7(9)6-13-4-2-1-3-5-14(10,11)12/h7H,1-6H2,(H2,10,11,12).
What are the key properties of 5-(2,2-difluoroethoxy)pentane-1-sulfonamide?
5-(2,2-difluoroethoxy)pentane-1-sulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pentane-1-sulfonamide is sourced from PubChem (CID 82009782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).