N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

C21H24FN3O3S — CID 37218502

IUPACN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24FN3O3S/c22-17-5-7-19(8-6-17)29(27,28)23-18-10-12-24(13-11-18)15-21(26)25-14-9-16-3-1-2-4-20(16)25/h1-8,18,23H,9-15H2
InChIKeyQFCFYNJVNKZKCO-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.16
Rot. Bonds5

About N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 37218502) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID37218502
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24FN3O3S/c22-17-5-7-19(8-6-17)29(27,28)23-18-10-12-24(13-11-18)15-21(26)25-14-9-16-3-1-2-4-20(16)25/h1-8,18,23H,9-15H2
InChIKeyQFCFYNJVNKZKCO-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
N-[(4R,7S,8aS)-4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-4-fluorobenzenesulfonamide
CID 25339118
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 91833895
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548533
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 37218502) is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is O=C(CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is QFCFYNJVNKZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-17-5-7-19(8-6-17)29(27,28)23-18-10-12-24(13-11-18)15-21(26)25-14-9-16-3-1-2-4-20(16)25/h1-8,18,23H,9-15H2.
What are the key properties of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 417.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 37218502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).