1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone

C10H11BrCl2N2O3S2 — CID 23737547

IUPAC1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1
InChIInChI=1S/C10H11BrCl2N2O3S2/c1-6(16)14-2-4-15(5-3-14)20(17,18)8-7(11)9(12)19-10(8)13/h2-5H2,1H3
InChIKeyIXZSZBJASKNALW-UHFFFAOYSA-N
MW422.15 g/mol
LogP2.67
Rot. Bonds2

About 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 23737547) has the molecular formula C10H11BrCl2N2O3S2 and a molecular weight of 422.15 g/mol. Its IUPAC name is 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID23737547
Molecular FormulaC10H11BrCl2N2O3S2
Molecular Weight422.15 g/mol
Exact Mass419.88
IUPAC Name1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1
InChIInChI=1S/C10H11BrCl2N2O3S2/c1-6(16)14-2-4-15(5-3-14)20(17,18)8-7(11)9(12)19-10(8)13/h2-5H2,1H3
InChIKeyIXZSZBJASKNALW-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805381
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 23854150
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 60984608
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110817100
1-[4-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3752352
1-[4-(2-amino-6-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 43452392
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one
CID 9298516
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone (CID 23737547) is 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1.
What is the InChIKey of 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is IXZSZBJASKNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O3S2/c1-6(16)14-2-4-15(5-3-14)20(17,18)8-7(11)9(12)19-10(8)13/h2-5H2,1H3.
What are the key properties of 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 422.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 23737547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).