N-(2,2,2-trifluoroethyl)furan-3-sulfonamide

C6H6F3NO3S — CID 169087414

IUPACN-(2,2,2-trifluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccoc1
InChIInChI=1S/C6H6F3NO3S/c7-6(8,9)4-10-14(11,12)5-1-2-13-3-5/h1-3,10H,4H2
InChIKeyUUUQJNRSTDUHGQ-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.12
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)furan-3-sulfonamide

N-(2,2,2-trifluoroethyl)furan-3-sulfonamide (PubChem CID 169087414) has the molecular formula C6H6F3NO3S and a molecular weight of 229.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)furan-3-sulfonamide
PubChem CID169087414
Molecular FormulaC6H6F3NO3S
Molecular Weight229.18 g/mol
Exact Mass229.00
IUPAC NameN-(2,2,2-trifluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccoc1
InChIInChI=1S/C6H6F3NO3S/c7-6(8,9)4-10-14(11,12)5-1-2-13-3-5/h1-3,10H,4H2
InChIKeyUUUQJNRSTDUHGQ-UHFFFAOYSA-N
XLogP1.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)furan-3-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)furan-3-sulfonamide (CID 169087414) is N-(2,2,2-trifluoroethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)furan-3-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)furan-3-sulfonamide is O=S(=O)(NCC(F)(F)F)c1ccoc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)furan-3-sulfonamide?
The InChIKey is UUUQJNRSTDUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3S/c7-6(8,9)4-10-14(11,12)5-1-2-13-3-5/h1-3,10H,4H2.
What are the key properties of N-(2,2,2-trifluoroethyl)furan-3-sulfonamide?
N-(2,2,2-trifluoroethyl)furan-3-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)furan-3-sulfonamide is sourced from PubChem (CID 169087414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).