3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine

C13H13ClF5NO2S — CID 141278727

IUPAC3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)C1CCN(CC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C13H13ClF5NO2S/c14-10-3-1-2-4-11(10)23(21,22)9-5-6-20(7-9)8-12(15,16)13(17,18)19/h1-4,9H,5-8H2
InChIKeyMFAGNLGOIKXEID-UHFFFAOYSA-N
MW377.76 g/mol
LogP3.39
Rot. Bonds4

About 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine

3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine (PubChem CID 141278727) has the molecular formula C13H13ClF5NO2S and a molecular weight of 377.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine
PubChem CID141278727
Molecular FormulaC13H13ClF5NO2S
Molecular Weight377.76 g/mol
Exact Mass377.03
IUPAC Name3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1Cl)C1CCN(CC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C13H13ClF5NO2S/c14-10-3-1-2-4-11(10)23(21,22)9-5-6-20(7-9)8-12(15,16)13(17,18)19/h1-4,9H,5-8H2
InChIKeyMFAGNLGOIKXEID-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.76
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine (CID 141278727) is 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine is O=S(=O)(c1ccccc1Cl)C1CCN(CC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine?
The InChIKey is MFAGNLGOIKXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF5NO2S/c14-10-3-1-2-4-11(10)23(21,22)9-5-6-20(7-9)8-12(15,16)13(17,18)19/h1-4,9H,5-8H2.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine?
3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine has a molecular weight of 377.76 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine is sourced from PubChem (CID 141278727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).