4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine

C16H18FNO3S2 — CID 126805528

IUPAC4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO3S2/c17-14-3-1-13(2-4-14)11-21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyWLTLUYYAEIXMOP-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.26
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine

4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine (PubChem CID 126805528) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine
PubChem CID126805528
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO3S2/c17-14-3-1-13(2-4-14)11-21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyWLTLUYYAEIXMOP-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine (CID 126805528) is 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine is O=S(=O)(c1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine?
The InChIKey is WLTLUYYAEIXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-14-3-1-13(2-4-14)11-21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine?
4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine has a molecular weight of 355.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-thiophen-3-ylsulfonylpiperidine is sourced from PubChem (CID 126805528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).