2-(fluoromethyl)pyrrolidine-1-sulfonamide

C5H11FN2O2S — CID 130695804

IUPAC2-(fluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1CF
InChIInChI=1S/C5H11FN2O2S/c6-4-5-2-1-3-8(5)11(7,9)10/h5H,1-4H2,(H2,7,9,10)
InChIKeyQNLWEQZWNBARFA-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.38
Rot. Bonds2

About 2-(fluoromethyl)pyrrolidine-1-sulfonamide

2-(fluoromethyl)pyrrolidine-1-sulfonamide (PubChem CID 130695804) has the molecular formula C5H11FN2O2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(fluoromethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(fluoromethyl)pyrrolidine-1-sulfonamide
PubChem CID130695804
Molecular FormulaC5H11FN2O2S
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name2-(fluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC1CF
InChIInChI=1S/C5H11FN2O2S/c6-4-5-2-1-3-8(5)11(7,9)10/h5H,1-4H2,(H2,7,9,10)
InChIKeyQNLWEQZWNBARFA-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(fluoromethyl)pyrrolidine-1-sulfonamide (CID 130695804) is 2-(fluoromethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(fluoromethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(fluoromethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCCC1CF.
What is the InChIKey of 2-(fluoromethyl)pyrrolidine-1-sulfonamide?
The InChIKey is QNLWEQZWNBARFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O2S/c6-4-5-2-1-3-8(5)11(7,9)10/h5H,1-4H2,(H2,7,9,10).
What are the key properties of 2-(fluoromethyl)pyrrolidine-1-sulfonamide?
2-(fluoromethyl)pyrrolidine-1-sulfonamide has a molecular weight of 182.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 130695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).