1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine

C17H18FNO2S — CID 51055230

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO2S/c18-17-8-6-14(7-9-17)13-22(20,21)19-11-10-16(12-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2
InChIKeySJCGLGOOLYGTNV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.14
Rot. Bonds4

About 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine

1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine (PubChem CID 51055230) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine
PubChem CID51055230
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO2S/c18-17-8-6-14(7-9-17)13-22(20,21)19-11-10-16(12-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2
InChIKeySJCGLGOOLYGTNV-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine (CID 51055230) is 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine?
The InChIKey is SJCGLGOOLYGTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-17-8-6-14(7-9-17)13-22(20,21)19-11-10-16(12-19)15-4-2-1-3-5-15/h1-9,16H,10-13H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine?
1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-3-phenylpyrrolidine is sourced from PubChem (CID 51055230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).