4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine

C23H22FNO4S2 — CID 90589531

IUPAC4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H22FNO4S2/c24-20-10-6-18(7-11-20)19-8-12-23(13-9-19)31(28,29)25-16-14-22(15-17-25)30(26,27)21-4-2-1-3-5-21/h1-13,22H,14-17H2
InChIKeyRCRWCHPPHJYIOJ-UHFFFAOYSA-N
MW459.56 g/mol
LogP4.12
Rot. Bonds5

About 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine

4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine (PubChem CID 90589531) has the molecular formula C23H22FNO4S2 and a molecular weight of 459.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
PubChem CID90589531
Molecular FormulaC23H22FNO4S2
Molecular Weight459.56 g/mol
Exact Mass459.10
IUPAC Name4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H22FNO4S2/c24-20-10-6-18(7-11-20)19-8-12-23(13-9-19)31(28,29)25-16-14-22(15-17-25)30(26,27)21-4-2-1-3-5-21/h1-13,22H,14-17H2
InChIKeyRCRWCHPPHJYIOJ-UHFFFAOYSA-N
XLogP4.12
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine (CID 90589531) is 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine?
The InChIKey is RCRWCHPPHJYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4S2/c24-20-10-6-18(7-11-20)19-8-12-23(13-9-19)31(28,29)25-16-14-22(15-17-25)30(26,27)21-4-2-1-3-5-21/h1-13,22H,14-17H2.
What are the key properties of 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine?
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine has a molecular weight of 459.56 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90589531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).