5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole

C19H19FN2O2S — CID 11710958

IUPAC5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole
SMILESO=S(=O)(c1ccc2c(ccn2C2CCNCC2)c1)c1ccccc1F
InChIInChI=1S/C19H19FN2O2S/c20-17-3-1-2-4-19(17)25(23,24)16-5-6-18-14(13-16)9-12-22(18)15-7-10-21-11-8-15/h1-6,9,12-13,15,21H,7-8,10-11H2
InChIKeyIZHKTLIPAZGYJN-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.54
Rot. Bonds3

About 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole

5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole (PubChem CID 11710958) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole.

Molecular Properties

Compound Name5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole
PubChem CID11710958
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole
SMILESO=S(=O)(c1ccc2c(ccn2C2CCNCC2)c1)c1ccccc1F
InChIInChI=1S/C19H19FN2O2S/c20-17-3-1-2-4-19(17)25(23,24)16-5-6-18-14(13-16)9-12-22(18)15-7-10-21-11-8-15/h1-6,9,12-13,15,21H,7-8,10-11H2
InChIKeyIZHKTLIPAZGYJN-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

Analyze 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole 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 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole?
The IUPAC name of 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole (CID 11710958) is 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole.
What is the SMILES notation for 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole?
The canonical SMILES for 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole is O=S(=O)(c1ccc2c(ccn2C2CCNCC2)c1)c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole?
The InChIKey is IZHKTLIPAZGYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-17-3-1-2-4-19(17)25(23,24)16-5-6-18-14(13-16)9-12-22(18)15-7-10-21-11-8-15/h1-6,9,12-13,15,21H,7-8,10-11H2.
What are the key properties of 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole?
5-(2-fluorophenyl)sulfonyl-1-piperidin-4-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 5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole is sourced from PubChem (CID 11710958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).