4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine

C17H16Cl2FNS — CID 11405596

IUPAC4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cccc(Cl)c2Cl)c(C2CCNCC2)c1
InChIInChI=1S/C17H16Cl2FNS/c18-14-2-1-3-16(17(14)19)22-15-5-4-12(20)10-13(15)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2
InChIKeyQDHZTAUVQQINSG-UHFFFAOYSA-N
MW356.29 g/mol
LogP5.75
Rot. Bonds3

About 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine

4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11405596) has the molecular formula C17H16Cl2FNS and a molecular weight of 356.29 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11405596
Molecular FormulaC17H16Cl2FNS
Molecular Weight356.29 g/mol
Exact Mass355.04
IUPAC Name4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cccc(Cl)c2Cl)c(C2CCNCC2)c1
InChIInChI=1S/C17H16Cl2FNS/c18-14-2-1-3-16(17(14)19)22-15-5-4-12(20)10-13(15)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2
InChIKeyQDHZTAUVQQINSG-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.29
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11405596) is 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine is Fc1ccc(Sc2cccc(Cl)c2Cl)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is QDHZTAUVQQINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNS/c18-14-2-1-3-16(17(14)19)22-15-5-4-12(20)10-13(15)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2.
What are the key properties of 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine has a molecular weight of 356.29 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11405596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).