3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide

C9H19FN2O2S — CID 119976917

IUPAC3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCCC1CCNC1
InChIInChI=1S/C9H19FN2O2S/c10-4-1-7-15(13,14)12-6-3-9-2-5-11-8-9/h9,11-12H,1-8H2
InChIKeyYIJCGOGVZMTCSN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.26
Rot. Bonds7

About 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide

3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide (PubChem CID 119976917) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide
PubChem CID119976917
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCF)NCCC1CCNC1
InChIInChI=1S/C9H19FN2O2S/c10-4-1-7-15(13,14)12-6-3-9-2-5-11-8-9/h9,11-12H,1-8H2
InChIKeyYIJCGOGVZMTCSN-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide (CID 119976917) is 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide is O=S(=O)(CCCF)NCCC1CCNC1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide?
The InChIKey is YIJCGOGVZMTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c10-4-1-7-15(13,14)12-6-3-9-2-5-11-8-9/h9,11-12H,1-8H2.
What are the key properties of 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide?
3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-3-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 119976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).