1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine

C12H16FNO4S2 — CID 90585208

IUPAC1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO4S2/c1-19(15,16)11-5-7-14(8-6-11)20(17,18)12-4-2-3-10(13)9-12/h2-4,9,11H,5-8H2,1H3
InChIKeyXZMRYXPGFTVSBW-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine

1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 90585208) has the molecular formula C12H16FNO4S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID90585208
Molecular FormulaC12H16FNO4S2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNO4S2/c1-19(15,16)11-5-7-14(8-6-11)20(17,18)12-4-2-3-10(13)9-12/h2-4,9,11H,5-8H2,1H3
InChIKeyXZMRYXPGFTVSBW-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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Related Compounds

1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-(3-fluorophenyl)-4-methylsulfonylpiperidine
CID 138533528
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498866
1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
CID 46086751
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine (CID 90585208) is 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is XZMRYXPGFTVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S2/c1-19(15,16)11-5-7-14(8-6-11)20(17,18)12-4-2-3-10(13)9-12/h2-4,9,11H,5-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(3-fluorophenyl)sulfonyl-4-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 1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90585208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).