[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C21H25ClN4O3S — CID 75194487

IUPAC[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(c4cccc(Cl)c4)NN3)CC2)cc1
InChIInChI=1S/C21H25ClN4O3S/c1-15-5-7-18(8-6-15)30(28,29)26-11-9-25(10-12-26)21(27)20-14-19(23-24-20)16-3-2-4-17(22)13-16/h2-8,13,19-20,23-24H,9-12,14H2,1H3
InChIKeyJFYJNVLQBKTAEM-UHFFFAOYSA-N
MW448.98 g/mol
LogP2.09
Rot. Bonds4

About [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 75194487) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID75194487
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC Name[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(c4cccc(Cl)c4)NN3)CC2)cc1
InChIInChI=1S/C21H25ClN4O3S/c1-15-5-7-18(8-6-15)30(28,29)26-11-9-25(10-12-26)21(27)20-14-19(23-24-20)16-3-2-4-17(22)13-16/h2-8,13,19-20,23-24H,9-12,14H2,1H3
InChIKeyJFYJNVLQBKTAEM-UHFFFAOYSA-N
XLogP2.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
CID 73221285
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331
(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42582568
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605691
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265303
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
2-adamantyl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46532239
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133239134
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 43889761

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 75194487) is [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC(c4cccc(Cl)c4)NN3)CC2)cc1.
What is the InChIKey of [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JFYJNVLQBKTAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-15-5-7-18(8-6-15)30(28,29)26-11-9-25(10-12-26)21(27)20-14-19(23-24-20)16-3-2-4-17(22)13-16/h2-8,13,19-20,23-24H,9-12,14H2,1H3.
What are the key properties of [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 448.98 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 75194487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).