1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine

C13H17ClN2O2S — CID 32737598

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-15-7-9-16(10-8-15)19(17,18)11-6-12-2-4-13(14)5-3-12/h2-6,11H,7-10H2,1H3/b11-6+
InChIKeyIQKZUYGCQRSGPQ-IZZDOVSWSA-N
MW300.81 g/mol
LogP1.89
Rot. Bonds3

About 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine

1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine (PubChem CID 32737598) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
PubChem CID32737598
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2S/c1-15-7-9-16(10-8-15)19(17,18)11-6-12-2-4-13(14)5-3-12/h2-6,11H,7-10H2,1H3/b11-6+
InChIKeyIQKZUYGCQRSGPQ-IZZDOVSWSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
CID 78687053
(3S)-3-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818294
4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
CID 77111427
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
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
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
(E)-3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]prop-2-enamide
CID 108759157
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(E)-3-(4-chlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164822
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756
2-(4-chlorophenyl)sulfanyl-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 74285453

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine (CID 32737598) is 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine?
The InChIKey is IQKZUYGCQRSGPQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-15-7-9-16(10-8-15)19(17,18)11-6-12-2-4-13(14)5-3-12/h2-6,11H,7-10H2,1H3/b11-6+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine?
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine has a molecular weight of 300.81 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 32737598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).