5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide

C7H6F3NO5S2 — CID 170202889

IUPAC5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO5S2/c1-2-5-3-4-6(16-5)17(12,13)11-18(14,15)7(8,9)10/h2-4,11H,1H2
InChIKeyINJGAFHJKSCIJI-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.05
Rot. Bonds4

About 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide

5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide (PubChem CID 170202889) has the molecular formula C7H6F3NO5S2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide
PubChem CID170202889
Molecular FormulaC7H6F3NO5S2
Molecular Weight305.26 g/mol
Exact Mass304.96
IUPAC Name5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO5S2/c1-2-5-3-4-6(16-5)17(12,13)11-18(14,15)7(8,9)10/h2-4,11H,1H2
InChIKeyINJGAFHJKSCIJI-UHFFFAOYSA-N
XLogP1.05
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide?
The IUPAC name of 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide (CID 170202889) is 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide.
What is the SMILES notation for 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide?
The canonical SMILES for 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide is C=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)o1.
What is the InChIKey of 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide?
The InChIKey is INJGAFHJKSCIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO5S2/c1-2-5-3-4-6(16-5)17(12,13)11-18(14,15)7(8,9)10/h2-4,11H,1H2.
What are the key properties of 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide?
5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide has a molecular weight of 305.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-(trifluoromethylsulfonyl)furan-2-sulfonamide is sourced from PubChem (CID 170202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).