4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

C8H11F3N2O4S — CID 114806571

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4S/c9-8(10,11)4-12-18(16,17)13-6-2-1-5(3-6)7(14)15/h1-2,5-6,12-13H,3-4H2,(H,14,15)
InChIKeyYWAIYOANTRIAPT-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.00
Rot. Bonds5

About 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 114806571) has the molecular formula C8H11F3N2O4S and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID114806571
Molecular FormulaC8H11F3N2O4S
Molecular Weight288.25 g/mol
Exact Mass288.04
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4S/c9-8(10,11)4-12-18(16,17)13-6-2-1-5(3-6)7(14)15/h1-2,5-6,12-13H,3-4H2,(H,14,15)
InChIKeyYWAIYOANTRIAPT-UHFFFAOYSA-N
XLogP0.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 114806571) is 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NS(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is YWAIYOANTRIAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4S/c9-8(10,11)4-12-18(16,17)13-6-2-1-5(3-6)7(14)15/h1-2,5-6,12-13H,3-4H2,(H,14,15).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).