3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide

C21H22FN3O3S — CID 167784657

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C21H22FN3O3S/c22-16-9-7-15(8-10-16)21-18(17-5-1-2-6-19(17)23-21)11-12-20(26)24-29(27,28)25-13-3-4-14-25/h1-2,5-10,23H,3-4,11-14H2,(H,24,26)
InChIKeyLTKCIDSUWRGGKL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.36
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide (PubChem CID 167784657) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
PubChem CID167784657
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C21H22FN3O3S/c22-16-9-7-15(8-10-16)21-18(17-5-1-2-6-19(17)23-21)11-12-20(26)24-29(27,28)25-13-3-4-14-25/h1-2,5-10,23H,3-4,11-14H2,(H,24,26)
InChIKeyLTKCIDSUWRGGKL-UHFFFAOYSA-N
XLogP3.36
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide 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-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide (CID 167784657) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NS(=O)(=O)N1CCCC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide?
The InChIKey is LTKCIDSUWRGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-16-9-7-15(8-10-16)21-18(17-5-1-2-6-19(17)23-21)11-12-20(26)24-29(27,28)25-13-3-4-14-25/h1-2,5-10,23H,3-4,11-14H2,(H,24,26).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide has a molecular weight of 415.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 167784657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).