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

C15H15BrCl2N2O3S2 — CID 23854150

IUPAC1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3c(Cl)sc(Cl)c3Br)CC2)c1
InChIInChI=1S/C15H15BrCl2N2O3S2/c1-23-11-4-2-3-10(9-11)19-5-7-20(8-6-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-4,9H,5-8H2,1H3
InChIKeyQHSLDRCDUXYOEV-UHFFFAOYSA-N
MW486.24 g/mol
LogP4.34
Rot. Bonds4

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

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine (PubChem CID 23854150) has the molecular formula C15H15BrCl2N2O3S2 and a molecular weight of 486.24 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
PubChem CID23854150
Molecular FormulaC15H15BrCl2N2O3S2
Molecular Weight486.24 g/mol
Exact Mass483.91
IUPAC Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3c(Cl)sc(Cl)c3Br)CC2)c1
InChIInChI=1S/C15H15BrCl2N2O3S2/c1-23-11-4-2-3-10(9-11)19-5-7-20(8-6-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-4,9H,5-8H2,1H3
InChIKeyQHSLDRCDUXYOEV-UHFFFAOYSA-N
XLogP4.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 3720824
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(4-ethoxyphenyl)piperazine
CID 3667713
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805381
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
CID 23737547
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
CID 53068043

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine (CID 23854150) is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(S(=O)(=O)c3c(Cl)sc(Cl)c3Br)CC2)c1.
What is the InChIKey of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
The InChIKey is QHSLDRCDUXYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O3S2/c1-23-11-4-2-3-10(9-11)19-5-7-20(8-6-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine?
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine has a molecular weight of 486.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 23854150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).