4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine

C19H21BrFNO2S — CID 23499487

IUPAC4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C19H21BrFNO2S/c20-16-6-8-17(9-7-16)25(23,24)18-10-12-22(13-11-18)14-19(21)15-4-2-1-3-5-15/h1-9,18-19H,10-14H2
InChIKeyCILORJXZJAWIDB-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.40
Rot. Bonds5

About 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine

4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine (PubChem CID 23499487) has the molecular formula C19H21BrFNO2S and a molecular weight of 426.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine
PubChem CID23499487
Molecular FormulaC19H21BrFNO2S
Molecular Weight426.35 g/mol
Exact Mass425.05
IUPAC Name4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)C1CCN(CC(F)c2ccccc2)CC1
InChIInChI=1S/C19H21BrFNO2S/c20-16-6-8-17(9-7-16)25(23,24)18-10-12-22(13-11-18)14-19(21)15-4-2-1-3-5-15/h1-9,18-19H,10-14H2
InChIKeyCILORJXZJAWIDB-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine 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 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine (CID 23499487) is 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine is O=S(=O)(c1ccc(Br)cc1)C1CCN(CC(F)c2ccccc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine?
The InChIKey is CILORJXZJAWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO2S/c20-16-6-8-17(9-7-16)25(23,24)18-10-12-22(13-11-18)14-19(21)15-4-2-1-3-5-15/h1-9,18-19H,10-14H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine?
4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine has a molecular weight of 426.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-1-(2-fluoro-2-phenylethyl)piperidine is sourced from PubChem (CID 23499487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).