3,4-difluoropyrrolidine-1-sulfonamide

C4H8F2N2O2S — CID 167526419

IUPAC3,4-difluoropyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(F)C(F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-3-1-8(2-4(3)6)11(7,9)10/h3-4H,1-2H2,(H2,7,9,10)
InChIKeyPQDLLKMTDLZIAE-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.82
Rot. Bonds1

About 3,4-difluoropyrrolidine-1-sulfonamide

3,4-difluoropyrrolidine-1-sulfonamide (PubChem CID 167526419) has the molecular formula C4H8F2N2O2S and a molecular weight of 186.18 g/mol. Its IUPAC name is 3,4-difluoropyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3,4-difluoropyrrolidine-1-sulfonamide
PubChem CID167526419
Molecular FormulaC4H8F2N2O2S
Molecular Weight186.18 g/mol
Exact Mass186.03
IUPAC Name3,4-difluoropyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CC(F)C(F)C1
InChIInChI=1S/C4H8F2N2O2S/c5-3-1-8(2-4(3)6)11(7,9)10/h3-4H,1-2H2,(H2,7,9,10)
InChIKeyPQDLLKMTDLZIAE-UHFFFAOYSA-N
XLogP-0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoropyrrolidine-1-sulfonamide?
The IUPAC name of 3,4-difluoropyrrolidine-1-sulfonamide (CID 167526419) is 3,4-difluoropyrrolidine-1-sulfonamide.
What is the SMILES notation for 3,4-difluoropyrrolidine-1-sulfonamide?
The canonical SMILES for 3,4-difluoropyrrolidine-1-sulfonamide is NS(=O)(=O)N1CC(F)C(F)C1.
What is the InChIKey of 3,4-difluoropyrrolidine-1-sulfonamide?
The InChIKey is PQDLLKMTDLZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S/c5-3-1-8(2-4(3)6)11(7,9)10/h3-4H,1-2H2,(H2,7,9,10).
What are the key properties of 3,4-difluoropyrrolidine-1-sulfonamide?
3,4-difluoropyrrolidine-1-sulfonamide has a molecular weight of 186.18 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoropyrrolidine-1-sulfonamide is sourced from PubChem (CID 167526419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).