5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C17H15F2NO4S — CID 19700378

IUPAC5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2ccccc2F)C(c2ccccc2F)N1
InChIInChI=1S/C17H15F2NO4S/c18-11-6-2-1-5-10(11)16-15(9-13(20-16)17(21)22)25(23,24)14-8-4-3-7-12(14)19/h1-8,13,15-16,20H,9H2,(H,21,22)
InChIKeyHSUUMYFVGOPELQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.29
Rot. Bonds4

About 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 19700378) has the molecular formula C17H15F2NO4S and a molecular weight of 367.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID19700378
Molecular FormulaC17H15F2NO4S
Molecular Weight367.37 g/mol
Exact Mass367.07
IUPAC Name5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2ccccc2F)C(c2ccccc2F)N1
InChIInChI=1S/C17H15F2NO4S/c18-11-6-2-1-5-10(11)16-15(9-13(20-16)17(21)22)25(23,24)14-8-4-3-7-12(14)19/h1-8,13,15-16,20H,9H2,(H,21,22)
InChIKeyHSUUMYFVGOPELQ-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 19700378) is 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CC(S(=O)(=O)c2ccccc2F)C(c2ccccc2F)N1.
What is the InChIKey of 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is HSUUMYFVGOPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4S/c18-11-6-2-1-5-10(11)16-15(9-13(20-16)17(21)22)25(23,24)14-8-4-3-7-12(14)19/h1-8,13,15-16,20H,9H2,(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 367.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19700378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).