1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine

C12H15F2NO2S — CID 2376183

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2NO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyRUJYECZMECBWTA-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.39
Rot. Bonds2

About 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine

1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine (PubChem CID 2376183) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine
PubChem CID2376183
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2NO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyRUJYECZMECBWTA-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine (CID 2376183) is 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine?
The InChIKey is RUJYECZMECBWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-9-4-6-15(7-5-9)18(16,17)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine?
1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine has a molecular weight of 275.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 2376183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).