1-(4-cyclohexylphenyl)sulfonylpyrrolidine

C16H23NO2S — CID 778353

IUPAC1-(4-cyclohexylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2
InChIKeyBQIGKWKYDZLPGR-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-cyclohexylphenyl)sulfonylpyrrolidine

1-(4-cyclohexylphenyl)sulfonylpyrrolidine (PubChem CID 778353) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonylpyrrolidine
PubChem CID778353
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-(4-cyclohexylphenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2
InChIKeyBQIGKWKYDZLPGR-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine (CID 778353) is 1-(4-cyclohexylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine?
The InChIKey is BQIGKWKYDZLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-20(19,17-12-4-5-13-17)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine?
1-(4-cyclohexylphenyl)sulfonylpyrrolidine has a molecular weight of 293.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).