4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one

C16H14BrClN2O3S — CID 110656893

IUPAC4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Br)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O3S/c17-12-4-6-14(7-5-12)24(22,23)20-9-8-19-16(21)15(20)11-2-1-3-13(18)10-11/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyYFVSJNKIFHFCMP-UHFFFAOYSA-N
MW429.72 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one

4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one (PubChem CID 110656893) has the molecular formula C16H14BrClN2O3S and a molecular weight of 429.72 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
PubChem CID110656893
Molecular FormulaC16H14BrClN2O3S
Molecular Weight429.72 g/mol
Exact Mass427.96
IUPAC Name4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Br)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O3S/c17-12-4-6-14(7-5-12)24(22,23)20-9-8-19-16(21)15(20)11-2-1-3-13(18)10-11/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyYFVSJNKIFHFCMP-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
CID 110656903
3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
CID 110419970
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one (CID 110656893) is 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccc(Br)cc2)C1c1cccc(Cl)c1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
The InChIKey is YFVSJNKIFHFCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3S/c17-12-4-6-14(7-5-12)24(22,23)20-9-8-19-16(21)15(20)11-2-1-3-13(18)10-11/h1-7,10,15H,8-9H2,(H,19,21).
What are the key properties of 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one?
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one has a molecular weight of 429.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110656893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).