3-fluoropyrrolidine-1-sulfonamide

C4H9FN2O2S — CID 126742889

IUPAC3-fluoropyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C4H9FN2O2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyXNJILALDEXTJCJ-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.77
Rot. Bonds1

About 3-fluoropyrrolidine-1-sulfonamide

3-fluoropyrrolidine-1-sulfonamide (PubChem CID 126742889) has the molecular formula C4H9FN2O2S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-sulfonamide
PubChem CID126742889
Molecular FormulaC4H9FN2O2S
Molecular Weight168.19 g/mol
Exact Mass168.04
IUPAC Name3-fluoropyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C4H9FN2O2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9)
InChIKeyXNJILALDEXTJCJ-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-1-sulfonamide?
The IUPAC name of 3-fluoropyrrolidine-1-sulfonamide (CID 126742889) is 3-fluoropyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-fluoropyrrolidine-1-sulfonamide?
The canonical SMILES for 3-fluoropyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-sulfonamide?
The InChIKey is XNJILALDEXTJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2,(H2,6,8,9).
What are the key properties of 3-fluoropyrrolidine-1-sulfonamide?
3-fluoropyrrolidine-1-sulfonamide has a molecular weight of 168.19 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-sulfonamide is sourced from PubChem (CID 126742889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).