1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine

C16H18Cl2N2O2S2 — CID 2810459

IUPAC1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H18Cl2N2O2S2/c17-15-12-14(16(18)23-15)24(21,22)20-10-8-19(9-11-20)7-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyKPNRMJKJUPPUAZ-UHFFFAOYSA-N
MW405.37 g/mol
LogP3.60
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine

1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 2810459) has the molecular formula C16H18Cl2N2O2S2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID2810459
Molecular FormulaC16H18Cl2N2O2S2
Molecular Weight405.37 g/mol
Exact Mass404.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H18Cl2N2O2S2/c17-15-12-14(16(18)23-15)24(21,22)20-10-8-19(9-11-20)7-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyKPNRMJKJUPPUAZ-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Chlorothiophen-2-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1228698
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 2480643
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
5-chloro-N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)thiophene-2-sulfonamide
CID 71792843

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine (CID 2810459) is 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is KPNRMJKJUPPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S2/c17-15-12-14(16(18)23-15)24(21,22)20-10-8-19(9-11-20)7-6-13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 405.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 2810459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).