N-(1,2,2-trifluoroethyl)furan-3-sulfonamide

C6H6F3NO3S — CID 175455716

IUPACN-(1,2,2-trifluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NC(F)C(F)F)c1ccoc1
InChIInChI=1S/C6H6F3NO3S/c7-5(8)6(9)10-14(11,12)4-1-2-13-3-4/h1-3,5-6,10H
InChIKeyPWFKPUIAVGRTDD-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.12
Rot. Bonds4

About N-(1,2,2-trifluoroethyl)furan-3-sulfonamide

N-(1,2,2-trifluoroethyl)furan-3-sulfonamide (PubChem CID 175455716) has the molecular formula C6H6F3NO3S and a molecular weight of 229.18 g/mol. Its IUPAC name is N-(1,2,2-trifluoroethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2,2-trifluoroethyl)furan-3-sulfonamide
PubChem CID175455716
Molecular FormulaC6H6F3NO3S
Molecular Weight229.18 g/mol
Exact Mass229.00
IUPAC NameN-(1,2,2-trifluoroethyl)furan-3-sulfonamide
SMILESO=S(=O)(NC(F)C(F)F)c1ccoc1
InChIInChI=1S/C6H6F3NO3S/c7-5(8)6(9)10-14(11,12)4-1-2-13-3-4/h1-3,5-6,10H
InChIKeyPWFKPUIAVGRTDD-UHFFFAOYSA-N
XLogP1.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

Furan-2-sulfonamide
CID 13668256
Furan-3-sulfonamide
CID 22179283
Furan-2-sulfinamide
CID 119085177
Furansulfonyl urea
CID 22153203
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide
CID 136534251
N-(trifluoromethyl)furan-3-sulfonamide
CID 91150745
N-(2,2,2-trifluoroethyl)furan-3-sulfonamide
CID 169087414
N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
CID 169087416
N-(1,2,2-trifluoroethyl)furan-2-sulfonamide
CID 175455633
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
N-(3-amino-2,2-difluoropropyl)furan-2-sulfonamide;hydrochloride
CID 121606724

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trifluoroethyl)furan-3-sulfonamide?
The IUPAC name of N-(1,2,2-trifluoroethyl)furan-3-sulfonamide (CID 175455716) is N-(1,2,2-trifluoroethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(1,2,2-trifluoroethyl)furan-3-sulfonamide?
The canonical SMILES for N-(1,2,2-trifluoroethyl)furan-3-sulfonamide is O=S(=O)(NC(F)C(F)F)c1ccoc1.
What is the InChIKey of N-(1,2,2-trifluoroethyl)furan-3-sulfonamide?
The InChIKey is PWFKPUIAVGRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3S/c7-5(8)6(9)10-14(11,12)4-1-2-13-3-4/h1-3,5-6,10H.
What are the key properties of N-(1,2,2-trifluoroethyl)furan-3-sulfonamide?
N-(1,2,2-trifluoroethyl)furan-3-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trifluoroethyl)furan-3-sulfonamide is sourced from PubChem (CID 175455716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).