phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

C19H18FNO5S — CID 2380656

IUPACphenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H18FNO5S/c20-15-9-4-5-11-18(15)27(24,25)21-12-6-10-16(21)19(23)26-13-17(22)14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1
InChIKeyZVNFNOGIOPNRJM-INIZCTEOSA-N
MW391.42 g/mol
LogP2.40
Rot. Bonds6

About phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 2380656) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID2380656
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Namephenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H18FNO5S/c20-15-9-4-5-11-18(15)27(24,25)21-12-6-10-16(21)19(23)26-13-17(22)14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1
InChIKeyZVNFNOGIOPNRJM-INIZCTEOSA-N
XLogP2.40
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (CID 2380656) is phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is ZVNFNOGIOPNRJM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-15-9-4-5-11-18(15)27(24,25)21-12-6-10-16(21)19(23)26-13-17(22)14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1.
What are the key properties of phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).