3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine

C18H18F3NO3S — CID 46029127

IUPAC3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C18H18F3NO3S/c19-14-3-5-18(6-4-14)26(23,24)22-7-1-2-17(11-22)25-12-13-8-15(20)10-16(21)9-13/h3-6,8-10,17H,1-2,7,11-12H2
InChIKeyRTAQDCBIWGYKCC-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.47
Rot. Bonds5

About 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine

3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 46029127) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
PubChem CID46029127
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C18H18F3NO3S/c19-14-3-5-18(6-4-14)26(23,24)22-7-1-2-17(11-22)25-12-13-8-15(20)10-16(21)9-13/h3-6,8-10,17H,1-2,7,11-12H2
InChIKeyRTAQDCBIWGYKCC-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine (CID 46029127) is 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is RTAQDCBIWGYKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c19-14-3-5-18(6-4-14)26(23,24)22-7-1-2-17(11-22)25-12-13-8-15(20)10-16(21)9-13/h3-6,8-10,17H,1-2,7,11-12H2.
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine?
3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 385.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 46029127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).