N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide

C17H15F4NO4S — CID 3236646

IUPACN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H15F4NO4S/c18-16(19)17(20,21)10-25-8-7-22-27(23,24)11-5-6-15-13(9-11)12-3-1-2-4-14(12)26-15/h1-6,9,16,22H,7-8,10H2
InChIKeyUQSKXALNODZRKL-UHFFFAOYSA-N
MW405.37 g/mol
LogP3.78
Rot. Bonds8

About N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide

N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide (PubChem CID 3236646) has the molecular formula C17H15F4NO4S and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide
PubChem CID3236646
Molecular FormulaC17H15F4NO4S
Molecular Weight405.37 g/mol
Exact Mass405.07
IUPAC NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H15F4NO4S/c18-16(19)17(20,21)10-25-8-7-22-27(23,24)11-5-6-15-13(9-11)12-3-1-2-4-14(12)26-15/h1-6,9,16,22H,7-8,10H2
InChIKeyUQSKXALNODZRKL-UHFFFAOYSA-N
XLogP3.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide (CID 3236646) is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide is O=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide?
The InChIKey is UQSKXALNODZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO4S/c18-16(19)17(20,21)10-25-8-7-22-27(23,24)11-5-6-15-13(9-11)12-3-1-2-4-14(12)26-15/h1-6,9,16,22H,7-8,10H2.
What are the key properties of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide?
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide has a molecular weight of 405.37 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 3236646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).