1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine

C14H19ClN2O2S — CID 78687053

IUPAC1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-2-16-8-10-17(11-9-16)20(18,19)12-7-13-3-5-14(15)6-4-13/h3-7,12H,2,8-11H2,1H3
InChIKeyCTWUELKGVVBTBM-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine

1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine (PubChem CID 78687053) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
PubChem CID78687053
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-2-16-8-10-17(11-9-16)20(18,19)12-7-13-3-5-14(15)6-4-13/h3-7,12H,2,8-11H2,1H3
InChIKeyCTWUELKGVVBTBM-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24556061
ethyl 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidine-4-carboxylate
CID 26947501
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 8748784
4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
CID 77111427
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
1-[[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-4-yl]methyl]-4-pyridin-4-ylpiperazine
CID 70280894
(3S)-3-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818294
2-(4-chlorophenyl)sulfanyl-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 74285453
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine (CID 78687053) is 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine is CCN1CCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine?
The InChIKey is CTWUELKGVVBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-2-16-8-10-17(11-9-16)20(18,19)12-7-13-3-5-14(15)6-4-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine?
1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine has a molecular weight of 314.84 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine is sourced from PubChem (CID 78687053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).