1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine

C16H16ClNO2S — CID 852202

IUPAC1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C16H16ClNO2S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)21(19,20)18-11-1-2-12-18/h3-10H,1-2,11-12H2
InChIKeyIHLHPHGZYQXXJW-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.79
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine

1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine (PubChem CID 852202) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine
PubChem CID852202
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCC1
InChIInChI=1S/C16H16ClNO2S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)21(19,20)18-11-1-2-12-18/h3-10H,1-2,11-12H2
InChIKeyIHLHPHGZYQXXJW-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine (CID 852202) is 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine is O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine?
The InChIKey is IHLHPHGZYQXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)21(19,20)18-11-1-2-12-18/h3-10H,1-2,11-12H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine?
1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine has a molecular weight of 321.83 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 852202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).