5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol

C16H16FNO3S — CID 24984171

IUPAC5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc(C2CCNC2)c(O)c1
InChIInChI=1S/C16H16FNO3S/c17-12-2-1-3-13(8-12)22(20,21)14-4-5-15(16(19)9-14)11-6-7-18-10-11/h1-5,8-9,11,18-19H,6-7,10H2
InChIKeyCSJPAAYTDQAGFB-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.44
Rot. Bonds3

About 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol

5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol (PubChem CID 24984171) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
PubChem CID24984171
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc(C2CCNC2)c(O)c1
InChIInChI=1S/C16H16FNO3S/c17-12-2-1-3-13(8-12)22(20,21)14-4-5-15(16(19)9-14)11-6-7-18-10-11/h1-5,8-9,11,18-19H,6-7,10H2
InChIKeyCSJPAAYTDQAGFB-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol (CID 24984171) is 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol is O=S(=O)(c1cccc(F)c1)c1ccc(C2CCNC2)c(O)c1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol?
The InChIKey is CSJPAAYTDQAGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-12-2-1-3-13(8-12)22(20,21)14-4-5-15(16(19)9-14)11-6-7-18-10-11/h1-5,8-9,11,18-19H,6-7,10H2.
What are the key properties of 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol?
5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol has a molecular weight of 321.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol is sourced from PubChem (CID 24984171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).