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

C15H15BrCl2N2O3S2 — CID 3720824

IUPAC1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1
InChIInChI=1S/C15H15BrCl2N2O3S2/c1-23-11-5-3-2-4-10(11)19-6-8-20(9-7-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-5H,6-9H2,1H3
InChIKeyXHYZHGBLJDNVQQ-UHFFFAOYSA-N
MW486.24 g/mol
LogP4.34
Rot. Bonds4

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

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 3720824) 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-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID3720824
Molecular FormulaC15H15BrCl2N2O3S2
Molecular Weight486.24 g/mol
Exact Mass483.91
IUPAC Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1
InChIInChI=1S/C15H15BrCl2N2O3S2/c1-23-11-5-3-2-4-10(11)19-6-8-20(9-7-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-5H,6-9H2,1H3
InChIKeyXHYZHGBLJDNVQQ-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-fluorophenyl)piperazine
CID 3554016
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 23854150
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(4-ethoxyphenyl)piperazine
CID 3667713
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805381
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
CID 23737547
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 3720824) is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1.
What is the InChIKey of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is XHYZHGBLJDNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O3S2/c1-23-11-5-3-2-4-10(11)19-6-8-20(9-7-19)25(21,22)13-12(16)14(17)24-15(13)18/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-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-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3720824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).