1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide

C19H21FN2O3S — CID 555760

IUPAC1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3S/c20-17-10-5-4-7-15(17)12-13-21-19(23)18-11-6-14-22(18)26(24,25)16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2,(H,21,23)
InChIKeyWBIXOCONRHOKMU-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.34
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 555760) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID555760
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3S/c20-17-10-5-4-7-15(17)12-13-21-19(23)18-11-6-14-22(18)26(24,25)16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2,(H,21,23)
InChIKeyWBIXOCONRHOKMU-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide 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 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide (CID 555760) is 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is WBIXOCONRHOKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-10-5-4-7-15(17)12-13-21-19(23)18-11-6-14-22(18)26(24,25)16-8-2-1-3-9-16/h1-5,7-10,18H,6,11-14H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 555760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).