4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine

C18H26ClN3O2S — CID 139208493

IUPAC4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
SMILESCC(=C1CCN(S(=O)(=O)C2C(C)NNC2C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7,13-14,18,20-21H,8-11H2,1-3H3
InChIKeyMJUYKRUOORGUNU-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.79
Rot. Bonds3

About 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine

4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine (PubChem CID 139208493) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
PubChem CID139208493
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
SMILESCC(=C1CCN(S(=O)(=O)C2C(C)NNC2C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7,13-14,18,20-21H,8-11H2,1-3H3
InChIKeyMJUYKRUOORGUNU-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
4-[(4-Chloro-2-fluorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
CID 139208492
4-[(4-Chlorophenyl)methyl]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine-4-carbonitrile
CID 131635826
4-[(2,4-Dichlorophenyl)methyl]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine-4-carbonitrile
CID 131635827
(2E)-2-(4-chlorophenyl)-2-[1-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-3-methylpiperidin-4-ylidene]acetonitrile
CID 139208491
4-(4-Chlorobenzylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208494
1-(4-chlorophenyl)-N-((1-isopropylpiperidin-4-yl)methyl)methanesulfonamide
CID 16887590
1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
CID 131897550
1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 16887503
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]but-3-ene-1-sulfonamide
CID 71850804
(E)-2-(4-chlorophenyl)-N-(1,4-dimethylpyrrolidin-3-yl)ethenesulfonamide
CID 75535517
N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine
CID 11222423

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine (CID 139208493) is 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine is CC(=C1CCN(S(=O)(=O)C2C(C)NNC2C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The InChIKey is MJUYKRUOORGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7,13-14,18,20-21H,8-11H2,1-3H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine has a molecular weight of 383.95 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine is sourced from PubChem (CID 139208493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).