1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine

C21H25ClFN3O2S — CID 4061277

IUPAC1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H25ClFN3O2S/c22-17-1-7-21(8-2-17)29(27,28)26-11-9-20(10-12-26)25-15-13-24(14-16-25)19-5-3-18(23)4-6-19/h1-8,20H,9-16H2
InChIKeyNKEZOUWYMFORQQ-UHFFFAOYSA-N
MW437.97 g/mol
LogP3.45
Rot. Bonds4

About 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine

1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine (PubChem CID 4061277) has the molecular formula C21H25ClFN3O2S and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
PubChem CID4061277
Molecular FormulaC21H25ClFN3O2S
Molecular Weight437.97 g/mol
Exact Mass437.13
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H25ClFN3O2S/c22-17-1-7-21(8-2-17)29(27,28)26-11-9-20(10-12-26)25-15-13-24(14-16-25)19-5-3-18(23)4-6-19/h1-8,20H,9-16H2
InChIKeyNKEZOUWYMFORQQ-UHFFFAOYSA-N
XLogP3.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
CID 23028687
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine (CID 4061277) is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine?
The InChIKey is NKEZOUWYMFORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2S/c22-17-1-7-21(8-2-17)29(27,28)26-11-9-20(10-12-26)25-15-13-24(14-16-25)19-5-3-18(23)4-6-19/h1-8,20H,9-16H2.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine?
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine has a molecular weight of 437.97 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 4061277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).