1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

C18H19F2NO2S — CID 2805077

IUPAC1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc(C)c1F
InChIInChI=1S/C18H19F2NO2S/c1-12-10-16(11-13(2)18(12)20)24(22,23)21-9-3-4-17(21)14-5-7-15(19)8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyJFBNNBIUJWKGPM-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (PubChem CID 2805077) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
PubChem CID2805077
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc(C)c1F
InChIInChI=1S/C18H19F2NO2S/c1-12-10-16(11-13(2)18(12)20)24(22,23)21-9-3-4-17(21)14-5-7-15(19)8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3
InChIKeyJFBNNBIUJWKGPM-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (CID 2805077) is 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is Cc1cc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc(C)c1F.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is JFBNNBIUJWKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c1-12-10-16(11-13(2)18(12)20)24(22,23)21-9-3-4-17(21)14-5-7-15(19)8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 351.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 2805077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).