1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C17H19ClN2O2S2 — CID 2480643

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S2/c18-16-8-9-17(23-16)24(21,22)20-13-11-19(12-14-20)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/b7-4+
InChIKeyJXHUEVVJZPNYSW-QPJJXVBHSA-N
MW382.94 g/mol
LogP3.42
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 2480643) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID2480643
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S2/c18-16-8-9-17(23-16)24(21,22)20-13-11-19(12-14-20)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/b7-4+
InChIKeyJXHUEVVJZPNYSW-QPJJXVBHSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine hydrochloride
CID 6603683
4-Benzyl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine
CID 2943089
1-Benzyl-4-[(2,5-dimethylthien-3-yl)sulfonyl]piperazine
CID 6603587
5-Methyl-2-{[4-benzylpiperazinyl]sulfonyl}thiophene
CID 2090982
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 4850106
5-Chloro-2-{[4-(2-phenylethyl)piperazinyl]sulfonyl}thiophene
CID 6464314
1-[(5-Chloro-2-thienyl)sulfonyl]-4-(2-methylbenzyl)piperazine
CID 6469560
2-{[4-(2-Phenylethyl)piperazinyl]sulfonyl}thiophene
CID 2810368
4-Benzhydryl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2823166
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine
CID 2810459
2-{[4-(Diphenylmethyl)piperazinyl]sulfonyl}-5-chlorothiophene
CID 2822245

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 2480643) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is JXHUEVVJZPNYSW-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c18-16-8-9-17(23-16)24(21,22)20-13-11-19(12-14-20)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/b7-4+.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 382.94 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 2480643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).