2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine

C16H16FNO2S — CID 174374754

IUPAC2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)C1NCCC1c1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c17-13-6-4-5-12(11-13)15-9-10-18-16(15)21(19,20)14-7-2-1-3-8-14/h1-8,11,15-16,18H,9-10H2
InChIKeyKUWXXARSCOBVEH-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.70
Rot. Bonds3

About 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine

2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine (PubChem CID 174374754) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
PubChem CID174374754
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)C1NCCC1c1cccc(F)c1
InChIInChI=1S/C16H16FNO2S/c17-13-6-4-5-12(11-13)15-9-10-18-16(15)21(19,20)14-7-2-1-3-8-14/h1-8,11,15-16,18H,9-10H2
InChIKeyKUWXXARSCOBVEH-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine (CID 174374754) is 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine is O=S(=O)(c1ccccc1)C1NCCC1c1cccc(F)c1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine?
The InChIKey is KUWXXARSCOBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-6-4-5-12(11-13)15-9-10-18-16(15)21(19,20)14-7-2-1-3-8-14/h1-8,11,15-16,18H,9-10H2.
What are the key properties of 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine?
2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine has a molecular weight of 305.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 174374754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).