4-fluoro-1-(4-methylphenyl)sulfonylpiperidine

C12H16FNO2S — CID 122380871

IUPAC4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)CC2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9H2,1H3
InChIKeySEVCKMBLSAHXJD-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.12
Rot. Bonds2

About 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine

4-fluoro-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 122380871) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID122380871
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)CC2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9H2,1H3
InChIKeySEVCKMBLSAHXJD-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine (CID 122380871) is 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(F)CC2)cc1.
What is the InChIKey of 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is SEVCKMBLSAHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9H2,1H3.
What are the key properties of 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
4-fluoro-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 122380871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).