4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine

C17H17ClFNS — CID 11151403

IUPAC4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccccc2Cl)c(C2CCNCC2)c1
InChIInChI=1S/C17H17ClFNS/c18-15-3-1-2-4-17(15)21-16-6-5-13(19)11-14(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyVBCHBTQLQHNPRD-UHFFFAOYSA-N
MW321.85 g/mol
LogP5.10
Rot. Bonds3

About 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine

4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11151403) has the molecular formula C17H17ClFNS and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11151403
Molecular FormulaC17H17ClFNS
Molecular Weight321.85 g/mol
Exact Mass321.08
IUPAC Name4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccccc2Cl)c(C2CCNCC2)c1
InChIInChI=1S/C17H17ClFNS/c18-15-3-1-2-4-17(15)21-16-6-5-13(19)11-14(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyVBCHBTQLQHNPRD-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11151403) is 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine is Fc1ccc(Sc2ccccc2Cl)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is VBCHBTQLQHNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNS/c18-15-3-1-2-4-17(15)21-16-6-5-13(19)11-14(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2.
What are the key properties of 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine has a molecular weight of 321.85 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11151403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).