4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine

C12H16FNO4S2 — CID 71808837

IUPAC4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO4S2/c1-19(15,16)14-8-6-12(7-9-14)20(17,18)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeySPZVEVWUVJNPEZ-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.02
Rot. Bonds3

About 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine

4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine (PubChem CID 71808837) has the molecular formula C12H16FNO4S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine
PubChem CID71808837
Molecular FormulaC12H16FNO4S2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNO4S2/c1-19(15,16)14-8-6-12(7-9-14)20(17,18)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeySPZVEVWUVJNPEZ-UHFFFAOYSA-N
XLogP1.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine (CID 71808837) is 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine?
The InChIKey is SPZVEVWUVJNPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S2/c1-19(15,16)14-8-6-12(7-9-14)20(17,18)11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine?
4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine has a molecular weight of 321.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 71808837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).