4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine

C24H24FNO5S2 — CID 90589932

IUPAC4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H24FNO5S2/c1-18-4-2-3-5-24(18)31-20-8-12-23(13-9-20)33(29,30)26-16-14-22(15-17-26)32(27,28)21-10-6-19(25)7-11-21/h2-13,22H,14-17H2,1H3
InChIKeyVZEZVUIHRQACNY-UHFFFAOYSA-N
MW489.59 g/mol
LogP4.55
Rot. Bonds6

About 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine

4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine (PubChem CID 90589932) has the molecular formula C24H24FNO5S2 and a molecular weight of 489.59 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
PubChem CID90589932
Molecular FormulaC24H24FNO5S2
Molecular Weight489.59 g/mol
Exact Mass489.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H24FNO5S2/c1-18-4-2-3-5-24(18)31-20-8-12-23(13-9-20)33(29,30)26-16-14-22(15-17-26)32(27,28)21-10-6-19(25)7-11-21/h2-13,22H,14-17H2,1H3
InChIKeyVZEZVUIHRQACNY-UHFFFAOYSA-N
XLogP4.55
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592877
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine (CID 90589932) is 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine is Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine?
The InChIKey is VZEZVUIHRQACNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO5S2/c1-18-4-2-3-5-24(18)31-20-8-12-23(13-9-20)33(29,30)26-16-14-22(15-17-26)32(27,28)21-10-6-19(25)7-11-21/h2-13,22H,14-17H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine?
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine has a molecular weight of 489.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90589932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).