1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

C16H15ClFNO2S — CID 4106469

IUPAC1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2S/c17-13-5-9-15(10-6-13)22(20,21)19-11-1-2-16(19)12-3-7-14(18)8-4-12/h3-10,16H,1-2,11H2
InChIKeyUNWYOYFLGMANQV-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (PubChem CID 4106469) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
PubChem CID4106469
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2S/c17-13-5-9-15(10-6-13)22(20,21)19-11-1-2-16(19)12-3-7-14(18)8-4-12/h3-10,16H,1-2,11H2
InChIKeyUNWYOYFLGMANQV-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (CID 4106469) is 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is UNWYOYFLGMANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-13-5-9-15(10-6-13)22(20,21)19-11-1-2-16(19)12-3-7-14(18)8-4-12/h3-10,16H,1-2,11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 339.82 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 4106469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).