3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide

C20H25FN2O2S — CID 24878026

IUPAC3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2cccc(NS(=O)(=O)c3cccc(CF)c3)c2)C1
InChIInChI=1S/C20H25FN2O2S/c1-2-10-23-11-9-18(15-23)17-6-4-7-19(13-17)22-26(24,25)20-8-3-5-16(12-20)14-21/h3-8,12-13,18,22H,2,9-11,14-15H2,1H3
InChIKeyNINCCLGYUOQFPS-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.16
Rot. Bonds7

About 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide

3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 24878026) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID24878026
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2cccc(NS(=O)(=O)c3cccc(CF)c3)c2)C1
InChIInChI=1S/C20H25FN2O2S/c1-2-10-23-11-9-18(15-23)17-6-4-7-19(13-17)22-26(24,25)20-8-3-5-16(12-20)14-21/h3-8,12-13,18,22H,2,9-11,14-15H2,1H3
InChIKeyNINCCLGYUOQFPS-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide 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-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (CID 24878026) is 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is CCCN1CCC(c2cccc(NS(=O)(=O)c3cccc(CF)c3)c2)C1.
What is the InChIKey of 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is NINCCLGYUOQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-2-10-23-11-9-18(15-23)17-6-4-7-19(13-17)22-26(24,25)20-8-3-5-16(12-20)14-21/h3-8,12-13,18,22H,2,9-11,14-15H2,1H3.
What are the key properties of 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-[3-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).