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

C16H16FNO2S — CID 66876690

IUPAC3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
SMILESO=S(=O)(c1ccccc1)c1cccc(C2CCNC2)c1F
InChIInChI=1S/C16H16FNO2S/c17-16-14(12-9-10-18-11-12)7-4-8-15(16)21(19,20)13-5-2-1-3-6-13/h1-8,12,18H,9-11H2
InChIKeyRNGXZVSOMASFED-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.74
Rot. Bonds3

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

3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine (PubChem CID 66876690) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
PubChem CID66876690
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
SMILESO=S(=O)(c1ccccc1)c1cccc(C2CCNC2)c1F
InChIInChI=1S/C16H16FNO2S/c17-16-14(12-9-10-18-11-12)7-4-8-15(16)21(19,20)13-5-2-1-3-6-13/h1-8,12,18H,9-11H2
InChIKeyRNGXZVSOMASFED-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine?
The IUPAC name of 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine (CID 66876690) is 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine.
What is the SMILES notation for 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine?
The canonical SMILES for 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine is O=S(=O)(c1ccccc1)c1cccc(C2CCNC2)c1F.
What is the InChIKey of 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine?
The InChIKey is RNGXZVSOMASFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-16-14(12-9-10-18-11-12)7-4-8-15(16)21(19,20)13-5-2-1-3-6-13/h1-8,12,18H,9-11H2.
What are the key properties of 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine?
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine has a molecular weight of 305.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine is sourced from PubChem (CID 66876690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).