N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide

C16H14F3NO4S — CID 2972762

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)10-23-8-7-20-25(21,22)11-5-6-15-13(9-11)12-3-1-2-4-14(12)24-15/h1-6,9,20H,7-8,10H2
InChIKeyLKGBBJHUFFRAAB-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide (PubChem CID 2972762) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide
PubChem CID2972762
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)10-23-8-7-20-25(21,22)11-5-6-15-13(9-11)12-3-1-2-4-14(12)24-15/h1-6,9,20H,7-8,10H2
InChIKeyLKGBBJHUFFRAAB-UHFFFAOYSA-N
XLogP3.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide (CID 2972762) is N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide is O=S(=O)(NCCOCC(F)(F)F)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide?
The InChIKey is LKGBBJHUFFRAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c17-16(18,19)10-23-8-7-20-25(21,22)11-5-6-15-13(9-11)12-3-1-2-4-14(12)24-15/h1-6,9,20H,7-8,10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide has a molecular weight of 373.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 2972762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).