1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole

C17H18FNO2S — CID 158311843

IUPAC1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole
SMILESO=S(=O)(CCCN1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-15-6-8-16(9-7-15)22(20,21)13-3-11-19-12-10-14-4-1-2-5-17(14)19/h1-2,4-9H,3,10-13H2
InChIKeyGNTSCHHHZJXBFX-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.05
Rot. Bonds5

About 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole

1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole (PubChem CID 158311843) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole
PubChem CID158311843
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole
SMILESO=S(=O)(CCCN1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-15-6-8-16(9-7-15)22(20,21)13-3-11-19-12-10-14-4-1-2-5-17(14)19/h1-2,4-9H,3,10-13H2
InChIKeyGNTSCHHHZJXBFX-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-chloro-N-[3-(2,3-dihydroindol-1-yl)propyl]propane-1-sulfonamide
CID 61248393
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
CID 94016366
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole (CID 158311843) is 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole is O=S(=O)(CCCN1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole?
The InChIKey is GNTSCHHHZJXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-15-6-8-16(9-7-15)22(20,21)13-3-11-19-12-10-14-4-1-2-5-17(14)19/h1-2,4-9H,3,10-13H2.
What are the key properties of 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole?
1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole has a molecular weight of 319.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfonylpropyl]-2,3-dihydroindole is sourced from PubChem (CID 158311843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).