2-fluoro-N-methylpyrrolidine-1-sulfonamide

C5H11FN2O2S — CID 150404316

IUPAC2-fluoro-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC1F
InChIInChI=1S/C5H11FN2O2S/c1-7-11(9,10)8-4-2-3-5(8)6/h5,7H,2-4H2,1H3
InChIKeyHEKURPXKQOKNNK-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.16
Rot. Bonds2

About 2-fluoro-N-methylpyrrolidine-1-sulfonamide

2-fluoro-N-methylpyrrolidine-1-sulfonamide (PubChem CID 150404316) has the molecular formula C5H11FN2O2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-fluoro-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methylpyrrolidine-1-sulfonamide
PubChem CID150404316
Molecular FormulaC5H11FN2O2S
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name2-fluoro-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCC1F
InChIInChI=1S/C5H11FN2O2S/c1-7-11(9,10)8-4-2-3-5(8)6/h5,7H,2-4H2,1H3
InChIKeyHEKURPXKQOKNNK-UHFFFAOYSA-N
XLogP-0.16
TPSA49.41 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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-fluoro-N-methylpyrrolidine-1-sulfonamide (CID 150404316) is 2-fluoro-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-fluoro-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-fluoro-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCCC1F.
What is the InChIKey of 2-fluoro-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is HEKURPXKQOKNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O2S/c1-7-11(9,10)8-4-2-3-5(8)6/h5,7H,2-4H2,1H3.
What are the key properties of 2-fluoro-N-methylpyrrolidine-1-sulfonamide?
2-fluoro-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 182.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 150404316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).