1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine

C16H15Cl2NO2S — CID 2859681

IUPAC1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-14-6-7-15(18)16(10-14)22(20,21)19-9-8-13(11-19)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyKAIIEQMAUGSQEH-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine

1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine (PubChem CID 2859681) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine
PubChem CID2859681
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-14-6-7-15(18)16(10-14)22(20,21)19-9-8-13(11-19)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2
InChIKeyKAIIEQMAUGSQEH-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine (CID 2859681) is 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine?
The InChIKey is KAIIEQMAUGSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-14-6-7-15(18)16(10-14)22(20,21)19-9-8-13(11-19)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine?
1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine has a molecular weight of 356.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine is sourced from PubChem (CID 2859681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).