4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid

C19H19FN2O5S — CID 19700380

IUPAC4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)O)NC2c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-11(23)21-12-6-8-13(9-7-12)28(26,27)17-10-16(19(24)25)22-18(17)14-4-2-3-5-15(14)20/h2-9,16-18,22H,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyWPFAEUZGVQHCMA-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.11
Rot. Bonds5

About 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid

4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 19700380) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID19700380
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)O)NC2c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O5S/c1-11(23)21-12-6-8-13(9-7-12)28(26,27)17-10-16(19(24)25)22-18(17)14-4-2-3-5-15(14)20/h2-9,16-18,22H,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyWPFAEUZGVQHCMA-UHFFFAOYSA-N
XLogP2.11
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid (CID 19700380) is 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)C2CC(C(=O)O)NC2c2ccccc2F)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WPFAEUZGVQHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-11(23)21-12-6-8-13(9-7-12)28(26,27)17-10-16(19(24)25)22-18(17)14-4-2-3-5-15(14)20/h2-9,16-18,22H,10H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 406.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19700380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).