1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H25ClN6O3S — CID 26570212

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H25ClN6O3S/c21-17-4-1-2-5-18(17)31(29,30)27-14-12-25(13-15-27)19(28)16-24-8-10-26(11-9-24)20-22-6-3-7-23-20/h1-7H,8-16H2
InChIKeyIDDMQMPXUONHEP-UHFFFAOYSA-N
MW464.98 g/mol
LogP0.79
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 26570212) has the molecular formula C20H25ClN6O3S and a molecular weight of 464.98 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID26570212
Molecular FormulaC20H25ClN6O3S
Molecular Weight464.98 g/mol
Exact Mass464.14
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H25ClN6O3S/c21-17-4-1-2-5-18(17)31(29,30)27-14-12-25(13-15-27)19(28)16-24-8-10-26(11-9-24)20-22-6-3-7-23-20/h1-7H,8-16H2
InChIKeyIDDMQMPXUONHEP-UHFFFAOYSA-N
XLogP0.79
TPSA89.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
3-(2-chloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030439
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2479205
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
1-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 110414748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 26570212) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IDDMQMPXUONHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O3S/c21-17-4-1-2-5-18(17)31(29,30)27-14-12-25(13-15-27)19(28)16-24-8-10-26(11-9-24)20-22-6-3-7-23-20/h1-7H,8-16H2.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 464.98 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 26570212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).