5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide

C7H8F3NO3S — CID 169087413

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)F)o1
InChIInChI=1S/C7H8F3NO3S/c1-5-2-3-6(14-5)15(12,13)11-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyZQZUUNHLUUHFGU-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.43
Rot. Bonds3

About 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide

5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide (PubChem CID 169087413) has the molecular formula C7H8F3NO3S and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
PubChem CID169087413
Molecular FormulaC7H8F3NO3S
Molecular Weight243.21 g/mol
Exact Mass243.02
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(F)(F)F)o1
InChIInChI=1S/C7H8F3NO3S/c1-5-2-3-6(14-5)15(12,13)11-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyZQZUUNHLUUHFGU-UHFFFAOYSA-N
XLogP1.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide (CID 169087413) is 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(F)(F)F)o1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide?
The InChIKey is ZQZUUNHLUUHFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3S/c1-5-2-3-6(14-5)15(12,13)11-4-7(8,9)10/h2-3,11H,4H2,1H3.
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide?
5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide is sourced from PubChem (CID 169087413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).