3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole

C19H19FN2O2S — CID 46880486

IUPAC3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C19H19FN2O2S/c20-14-5-3-7-16(11-14)25(23,24)19-13-22(15-6-4-10-21-12-15)18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15,21H,4,6,10,12H2
InChIKeyZDQCZXVTNASVOV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.54
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole

3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole (PubChem CID 46880486) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
PubChem CID46880486
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccccc12
InChIInChI=1S/C19H19FN2O2S/c20-14-5-3-7-16(11-14)25(23,24)19-13-22(15-6-4-10-21-12-15)18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15,21H,4,6,10,12H2
InChIKeyZDQCZXVTNASVOV-UHFFFAOYSA-N
XLogP3.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole (CID 46880486) is 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole is O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccccc12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The InChIKey is ZDQCZXVTNASVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-14-5-3-7-16(11-14)25(23,24)19-13-22(15-6-4-10-21-12-15)18-9-2-1-8-17(18)19/h1-3,5,7-9,11,13,15,21H,4,6,10,12H2.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole has a molecular weight of 358.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole is sourced from PubChem (CID 46880486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).