1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide

C6H9F3N2O3S — CID 137380155

IUPAC1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O3S/c7-6(8,9)5(12)11-2-1-4(3-11)15(10,13)14/h4H,1-3H2,(H2,10,13,14)
InChIKeyDRVRBEBBAKHJGL-UHFFFAOYSA-N
MW246.21 g/mol
LogP-0.56
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide

1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide (PubChem CID 137380155) has the molecular formula C6H9F3N2O3S and a molecular weight of 246.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide
PubChem CID137380155
Molecular FormulaC6H9F3N2O3S
Molecular Weight246.21 g/mol
Exact Mass246.03
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O3S/c7-6(8,9)5(12)11-2-1-4(3-11)15(10,13)14/h4H,1-3H2,(H2,10,13,14)
InChIKeyDRVRBEBBAKHJGL-UHFFFAOYSA-N
XLogP-0.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide (CID 137380155) is 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide?
The InChIKey is DRVRBEBBAKHJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3S/c7-6(8,9)5(12)11-2-1-4(3-11)15(10,13)14/h4H,1-3H2,(H2,10,13,14).
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide?
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide has a molecular weight of 246.21 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 137380155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).