3-(trifluoromethyl)pyrrolidine-1-sulfonamide

C5H9F3N2O2S — CID 130507417

IUPAC3-(trifluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)4-1-2-10(3-4)13(9,11)12/h4H,1-3H2,(H2,9,11,12)
InChIKeyLVHGXVGNBLFNFY-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.07
Rot. Bonds1

About 3-(trifluoromethyl)pyrrolidine-1-sulfonamide

3-(trifluoromethyl)pyrrolidine-1-sulfonamide (PubChem CID 130507417) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-1-sulfonamide
PubChem CID130507417
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name3-(trifluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)4-1-2-10(3-4)13(9,11)12/h4H,1-3H2,(H2,9,11,12)
InChIKeyLVHGXVGNBLFNFY-UHFFFAOYSA-N
XLogP0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-sulfonamide (CID 130507417) is 3-(trifluoromethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The InChIKey is LVHGXVGNBLFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)4-1-2-10(3-4)13(9,11)12/h4H,1-3H2,(H2,9,11,12).
What are the key properties of 3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
3-(trifluoromethyl)pyrrolidine-1-sulfonamide has a molecular weight of 218.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 130507417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).