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

C12H15F2NO4S2 — CID 71805714

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2NO4S2/c1-20(16,17)9-4-6-15(7-5-9)21(18,19)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyUZQHHFFEYZABRL-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.16
Rot. Bonds3

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

1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 71805714) has the molecular formula C12H15F2NO4S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID71805714
Molecular FormulaC12H15F2NO4S2
Molecular Weight339.39 g/mol
Exact Mass339.04
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2NO4S2/c1-20(16,17)9-4-6-15(7-5-9)21(18,19)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyUZQHHFFEYZABRL-UHFFFAOYSA-N
XLogP1.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine (CID 71805714) is 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is UZQHHFFEYZABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S2/c1-20(16,17)9-4-6-15(7-5-9)21(18,19)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-methylsulfonylpiperidine?
1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 339.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 71805714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).