(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine

C17H18FNO2S — CID 32681534

IUPAC(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C17H18FNO2S/c18-16-10-8-14(9-11-16)13-22(20,21)19-12-4-7-17(19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1
InChIKeyJHFLDHIBHMMUCN-KRWDZBQOSA-N
MW319.40 g/mol
LogP3.49
Rot. Bonds4

About (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine

(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine (PubChem CID 32681534) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine
PubChem CID32681534
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C17H18FNO2S/c18-16-10-8-14(9-11-16)13-22(20,21)19-12-4-7-17(19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1
InChIKeyJHFLDHIBHMMUCN-KRWDZBQOSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine (CID 32681534) is (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine is O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine?
The InChIKey is JHFLDHIBHMMUCN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-16-10-8-14(9-11-16)13-22(20,21)19-12-4-7-17(19)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine?
(2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methylsulfonyl]-2-phenylpyrrolidine is sourced from PubChem (CID 32681534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).