4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one

C12H14BrClN2O3S — CID 106546001

IUPAC4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN2O3S/c1-2-11-12(17)15-5-6-16(11)20(18,19)8-3-4-10(14)9(13)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,15,17)
InChIKeyJAPOSSVTYOJCJO-UHFFFAOYSA-N
MW381.68 g/mol
LogP2.00
Rot. Bonds3

About 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one

4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one (PubChem CID 106546001) has the molecular formula C12H14BrClN2O3S and a molecular weight of 381.68 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
PubChem CID106546001
Molecular FormulaC12H14BrClN2O3S
Molecular Weight381.68 g/mol
Exact Mass379.96
IUPAC Name4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN2O3S/c1-2-11-12(17)15-5-6-16(11)20(18,19)8-3-4-10(14)9(13)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,15,17)
InChIKeyJAPOSSVTYOJCJO-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-methoxyphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600524
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601203
4-(2-amino-4,6-dibromophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63602712
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63362640
4-(2-amino-6-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600961
4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 106606445
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
(3R)-4-(4-chlorophenyl)sulfonyl-3-prop-2-ynylpiperazin-2-one
CID 86604871

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one (CID 106546001) is 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one?
The InChIKey is JAPOSSVTYOJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3S/c1-2-11-12(17)15-5-6-16(11)20(18,19)8-3-4-10(14)9(13)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one?
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one has a molecular weight of 381.68 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 106546001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).