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

C17H15ClFNO4S — CID 19700401

IUPAC4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2F)N1
InChIInChI=1S/C17H15ClFNO4S/c18-10-5-7-11(8-6-10)25(23,24)15-9-14(17(21)22)20-16(15)12-3-1-2-4-13(12)19/h1-8,14-16,20H,9H2,(H,21,22)
InChIKeyQTBGLCRAIADGLO-UHFFFAOYSA-N
MW383.83 g/mol
LogP2.81
Rot. Bonds4

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

4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 19700401) has the molecular formula C17H15ClFNO4S and a molecular weight of 383.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID19700401
Molecular FormulaC17H15ClFNO4S
Molecular Weight383.83 g/mol
Exact Mass383.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2F)N1
InChIInChI=1S/C17H15ClFNO4S/c18-10-5-7-11(8-6-10)25(23,24)15-9-14(17(21)22)20-16(15)12-3-1-2-4-13(12)19/h1-8,14-16,20H,9H2,(H,21,22)
InChIKeyQTBGLCRAIADGLO-UHFFFAOYSA-N
XLogP2.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid (CID 19700401) is 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2F)N1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QTBGLCRAIADGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4S/c18-10-5-7-11(8-6-10)25(23,24)15-9-14(17(21)22)20-16(15)12-3-1-2-4-13(12)19/h1-8,14-16,20H,9H2,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid?
4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 383.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19700401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).