N-(trifluoromethylsulfonyl)furan-3-carboxamide

C6H4F3NO4S — CID 155170670

IUPACN-(trifluoromethylsulfonyl)furan-3-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccoc1
InChIInChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-1-2-14-3-4/h1-3H,(H,10,11)
InChIKeyWHQDHJLKPWNIBG-UHFFFAOYSA-N
MW243.16 g/mol
LogP0.86
Rot. Bonds2

About N-(trifluoromethylsulfonyl)furan-3-carboxamide

N-(trifluoromethylsulfonyl)furan-3-carboxamide (PubChem CID 155170670) has the molecular formula C6H4F3NO4S and a molecular weight of 243.16 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)furan-3-carboxamide
PubChem CID155170670
Molecular FormulaC6H4F3NO4S
Molecular Weight243.16 g/mol
Exact Mass242.98
IUPAC NameN-(trifluoromethylsulfonyl)furan-3-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccoc1
InChIInChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-1-2-14-3-4/h1-3H,(H,10,11)
InChIKeyWHQDHJLKPWNIBG-UHFFFAOYSA-N
XLogP0.86
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)furan-3-carboxamide?
The IUPAC name of N-(trifluoromethylsulfonyl)furan-3-carboxamide (CID 155170670) is N-(trifluoromethylsulfonyl)furan-3-carboxamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)furan-3-carboxamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)furan-3-carboxamide is O=C(NS(=O)(=O)C(F)(F)F)c1ccoc1.
What is the InChIKey of N-(trifluoromethylsulfonyl)furan-3-carboxamide?
The InChIKey is WHQDHJLKPWNIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-1-2-14-3-4/h1-3H,(H,10,11).
What are the key properties of N-(trifluoromethylsulfonyl)furan-3-carboxamide?
N-(trifluoromethylsulfonyl)furan-3-carboxamide has a molecular weight of 243.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)furan-3-carboxamide is sourced from PubChem (CID 155170670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).