5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide

C7H8F3NO3S — CID 175455461

IUPAC5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(F)C(F)F)o1
InChIInChI=1S/C7H8F3NO3S/c1-4-2-3-5(14-4)15(12,13)11-7(10)6(8)9/h2-3,6-7,11H,1H3
InChIKeyCETOEFOZZWHMNI-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.43
Rot. Bonds4

About 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide

5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide (PubChem CID 175455461) has the molecular formula C7H8F3NO3S and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide
PubChem CID175455461
Molecular FormulaC7H8F3NO3S
Molecular Weight243.21 g/mol
Exact Mass243.02
IUPAC Name5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(F)C(F)F)o1
InChIInChI=1S/C7H8F3NO3S/c1-4-2-3-5(14-4)15(12,13)11-7(10)6(8)9/h2-3,6-7,11H,1H3
InChIKeyCETOEFOZZWHMNI-UHFFFAOYSA-N
XLogP1.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.43
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 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide?
The IUPAC name of 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide (CID 175455461) is 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(F)C(F)F)o1.
What is the InChIKey of 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide?
The InChIKey is CETOEFOZZWHMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3S/c1-4-2-3-5(14-4)15(12,13)11-7(10)6(8)9/h2-3,6-7,11H,1H3.
What are the key properties of 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide?
5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,2-trifluoroethyl)furan-2-sulfonamide is sourced from PubChem (CID 175455461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).