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

C20H22Br2N4O3S — CID 73221285

IUPAC[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Br)cc2)NN1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22Br2N4O3S/c21-15-3-1-14(2-4-15)18-13-19(24-23-18)20(27)25-9-11-26(12-10-25)30(28,29)17-7-5-16(22)6-8-17/h1-8,18-19,23-24H,9-13H2
InChIKeyVHJPJBLRHMABMT-UHFFFAOYSA-N
MW558.30 g/mol
LogP2.65
Rot. Bonds4

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

[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 73221285) has the molecular formula C20H22Br2N4O3S and a molecular weight of 558.30 g/mol. Its IUPAC name is [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID73221285
Molecular FormulaC20H22Br2N4O3S
Molecular Weight558.30 g/mol
Exact Mass555.98
IUPAC Name[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(Br)cc2)NN1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22Br2N4O3S/c21-15-3-1-14(2-4-15)18-13-19(24-23-18)20(27)25-9-11-26(12-10-25)30(28,29)17-7-5-16(22)6-8-17/h1-8,18-19,23-24H,9-13H2
InChIKeyVHJPJBLRHMABMT-UHFFFAOYSA-N
XLogP2.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 75194487
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 24654557
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605691
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 134079807
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735167
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370
2-(4-bromophenyl)-1-[4-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 75551224

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone (CID 73221285) is [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CC(c2ccc(Br)cc2)NN1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VHJPJBLRHMABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N4O3S/c21-15-3-1-14(2-4-15)18-13-19(24-23-18)20(27)25-9-11-26(12-10-25)30(28,29)17-7-5-16(22)6-8-17/h1-8,18-19,23-24H,9-13H2.
What are the key properties of [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone?
[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 558.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 73221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).