3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C7H11F5N2O5S — CID 175890531

IUPAC3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(OC(F)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-1-2-9(3-4)13(8,10)11;3-2(4,5)1(6)7/h4-5H,1-3H2,(H2,8,10,11);(H,6,7)
InChIKeyPQTOJJVBUZSYMF-UHFFFAOYSA-N
MW330.23 g/mol
LogP0.14
Rot. Bonds3

About 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid

3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175890531) has the molecular formula C7H11F5N2O5S and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175890531
Molecular FormulaC7H11F5N2O5S
Molecular Weight330.23 g/mol
Exact Mass330.03
IUPAC Name3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(OC(F)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-1-2-9(3-4)13(8,10)11;3-2(4,5)1(6)7/h4-5H,1-3H2,(H2,8,10,11);(H,6,7)
InChIKeyPQTOJJVBUZSYMF-UHFFFAOYSA-N
XLogP0.14
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175890531) is 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)N1CCC(OC(F)F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is PQTOJJVBUZSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-1-2-9(3-4)13(8,10)11;3-2(4,5)1(6)7/h4-5H,1-3H2,(H2,8,10,11);(H,6,7).
What are the key properties of 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 330.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175890531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).