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

C17H24ClN3O2S — CID 139208494

IUPAC4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
SMILESCC1NNC(C)C1S(=O)(=O)N1CCC(=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2S/c1-12-17(13(2)20-19-12)24(22,23)21-9-7-15(8-10-21)11-14-3-5-16(18)6-4-14/h3-6,11-13,17,19-20H,7-10H2,1-2H3
InChIKeyCDCLVHAZXHOQDN-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.40
Rot. Bonds3

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

4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine (PubChem CID 139208494) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
PubChem CID139208494
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
SMILESCC1NNC(C)C1S(=O)(=O)N1CCC(=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2S/c1-12-17(13(2)20-19-12)24(22,23)21-9-7-15(8-10-21)11-14-3-5-16(18)6-4-14/h3-6,11-13,17,19-20H,7-10H2,1-2H3
InChIKeyCDCLVHAZXHOQDN-UHFFFAOYSA-N
XLogP2.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.40
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-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208493
1-(4-chlorophenyl)-N-((1-isopropylpiperidin-4-yl)methyl)methanesulfonamide
CID 16887590
1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide
CID 16887758
1-(2-chloro-6-fluorophenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]methanesulfonamide
CID 17617480
N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide
CID 71846448
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide
CID 121703619
1-[(3-Chloro-4-fluorophenyl)methylsulfonyl]-4-pyrrolidin-2-ylpiperidine
CID 121706157

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The IUPAC name of 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine (CID 139208494) is 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine is CC1NNC(C)C1S(=O)(=O)N1CCC(=Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
The InChIKey is CDCLVHAZXHOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-12-17(13(2)20-19-12)24(22,23)21-9-7-15(8-10-21)11-14-3-5-16(18)6-4-14/h3-6,11-13,17,19-20H,7-10H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine?
4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine has a molecular weight of 369.92 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine is sourced from PubChem (CID 139208494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).