1-(4-phenylphenyl)sulfonylpyrrolidine

C16H17NO2S — CID 894353

IUPAC1-(4-phenylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2
InChIKeyWHFHUMNXSKTAOI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-phenylphenyl)sulfonylpyrrolidine

1-(4-phenylphenyl)sulfonylpyrrolidine (PubChem CID 894353) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpyrrolidine
PubChem CID894353
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-(4-phenylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2
InChIKeyWHFHUMNXSKTAOI-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
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-phenylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpyrrolidine (CID 894353) is 1-(4-phenylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpyrrolidine?
The InChIKey is WHFHUMNXSKTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2.
What are the key properties of 1-(4-phenylphenyl)sulfonylpyrrolidine?
1-(4-phenylphenyl)sulfonylpyrrolidine has a molecular weight of 287.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 894353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).