N-(trifluoromethyl)furan-3-sulfonamide

C5H4F3NO3S — CID 91150745

IUPACN-(trifluoromethyl)furan-3-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1ccoc1
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)9-13(10,11)4-1-2-12-3-4/h1-3,9H
InChIKeyOHCZZGBRSQEZCW-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.08
Rot. Bonds2

About N-(trifluoromethyl)furan-3-sulfonamide

N-(trifluoromethyl)furan-3-sulfonamide (PubChem CID 91150745) has the molecular formula C5H4F3NO3S and a molecular weight of 215.15 g/mol. Its IUPAC name is N-(trifluoromethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)furan-3-sulfonamide
PubChem CID91150745
Molecular FormulaC5H4F3NO3S
Molecular Weight215.15 g/mol
Exact Mass214.99
IUPAC NameN-(trifluoromethyl)furan-3-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1ccoc1
InChIInChI=1S/C5H4F3NO3S/c6-5(7,8)9-13(10,11)4-1-2-12-3-4/h1-3,9H
InChIKeyOHCZZGBRSQEZCW-UHFFFAOYSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)furan-3-sulfonamide?
The IUPAC name of N-(trifluoromethyl)furan-3-sulfonamide (CID 91150745) is N-(trifluoromethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)furan-3-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)furan-3-sulfonamide is O=S(=O)(NC(F)(F)F)c1ccoc1.
What is the InChIKey of N-(trifluoromethyl)furan-3-sulfonamide?
The InChIKey is OHCZZGBRSQEZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO3S/c6-5(7,8)9-13(10,11)4-1-2-12-3-4/h1-3,9H.
What are the key properties of N-(trifluoromethyl)furan-3-sulfonamide?
N-(trifluoromethyl)furan-3-sulfonamide has a molecular weight of 215.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)furan-3-sulfonamide is sourced from PubChem (CID 91150745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).