1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide

C6H4F3NO3S — CID 86243640

IUPAC1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide
SMILESO=S(=O)(N=Cc1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)10-4-5-2-1-3-13-5/h1-4H
InChIKeyNUOLCBWPEZAGCQ-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.55
Rot. Bonds2

About 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide

1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide (PubChem CID 86243640) has the molecular formula C6H4F3NO3S and a molecular weight of 227.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide
PubChem CID86243640
Molecular FormulaC6H4F3NO3S
Molecular Weight227.16 g/mol
Exact Mass226.99
IUPAC Name1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide
SMILESO=S(=O)(N=Cc1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)10-4-5-2-1-3-13-5/h1-4H
InChIKeyNUOLCBWPEZAGCQ-UHFFFAOYSA-N
XLogP1.55
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide (CID 86243640) is 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide is O=S(=O)(N=Cc1ccco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide?
The InChIKey is NUOLCBWPEZAGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)10-4-5-2-1-3-13-5/h1-4H.
What are the key properties of 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide?
1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide has a molecular weight of 227.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(furan-2-ylmethylidene)methanesulfonamide is sourced from PubChem (CID 86243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).