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

C19H18F2N2O2S — CID 46880532

IUPAC5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccc(F)cc12
InChIInChI=1S/C19H18F2N2O2S/c20-13-3-1-5-16(9-13)26(24,25)19-12-23(15-4-2-8-22-11-15)18-7-6-14(21)10-17(18)19/h1,3,5-7,9-10,12,15,22H,2,4,8,11H2
InChIKeyHDORTSZBIXHHAF-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.68
Rot. Bonds3

About 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole

5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole (PubChem CID 46880532) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole.

Molecular Properties

Compound Name5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
PubChem CID46880532
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccc(F)cc12
InChIInChI=1S/C19H18F2N2O2S/c20-13-3-1-5-16(9-13)26(24,25)19-12-23(15-4-2-8-22-11-15)18-7-6-14(21)10-17(18)19/h1,3,5-7,9-10,12,15,22H,2,4,8,11H2
InChIKeyHDORTSZBIXHHAF-UHFFFAOYSA-N
XLogP3.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The IUPAC name of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole (CID 46880532) is 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole.
What is the SMILES notation for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The canonical SMILES for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole is O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
The InChIKey is HDORTSZBIXHHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c20-13-3-1-5-16(9-13)26(24,25)19-12-23(15-4-2-8-22-11-15)18-7-6-14(21)10-17(18)19/h1,3,5-7,9-10,12,15,22H,2,4,8,11H2.
What are the key properties of 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole?
5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole has a molecular weight of 376.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylindole is sourced from PubChem (CID 46880532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).