3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide

C7H15FN2O2S — CID 177012048

IUPAC3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c1-6(2)9-13(11,12)10-4-3-7(8)5-10/h6-7,9H,3-5H2,1-2H3
InChIKeyOKRGXVRHVDFAFD-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.27
Rot. Bonds3

About 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide

3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 177012048) has the molecular formula C7H15FN2O2S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID177012048
Molecular FormulaC7H15FN2O2S
Molecular Weight210.27 g/mol
Exact Mass210.08
IUPAC Name3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c1-6(2)9-13(11,12)10-4-3-7(8)5-10/h6-7,9H,3-5H2,1-2H3
InChIKeyOKRGXVRHVDFAFD-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 177012048) is 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is OKRGXVRHVDFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2S/c1-6(2)9-13(11,12)10-4-3-7(8)5-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide?
3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 210.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 177012048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).