2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine

C19H22FNO3S — CID 42938528

IUPAC2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-2-24-18-11-7-16(8-12-18)19-4-3-13-21(19)25(22,23)14-15-5-9-17(20)10-6-15/h5-12,19H,2-4,13-14H2,1H3
InChIKeyRLRLIWIVTUXCPS-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.89
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine

2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine (PubChem CID 42938528) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine
PubChem CID42938528
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-2-24-18-11-7-16(8-12-18)19-4-3-13-21(19)25(22,23)14-15-5-9-17(20)10-6-15/h5-12,19H,2-4,13-14H2,1H3
InChIKeyRLRLIWIVTUXCPS-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine (CID 42938528) is 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine is CCOc1ccc(C2CCCN2S(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine?
The InChIKey is RLRLIWIVTUXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-2-24-18-11-7-16(8-12-18)19-4-3-13-21(19)25(22,23)14-15-5-9-17(20)10-6-15/h5-12,19H,2-4,13-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine?
2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine has a molecular weight of 363.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 42938528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).