4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione

C11H10BrClN2O4S — CID 106606445

IUPAC4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyHBPZUFDIHDNVGA-UHFFFAOYSA-N
MW381.64 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione

4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione (PubChem CID 106606445) has the molecular formula C11H10BrClN2O4S and a molecular weight of 381.64 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
PubChem CID106606445
Molecular FormulaC11H10BrClN2O4S
Molecular Weight381.64 g/mol
Exact Mass379.92
IUPAC Name4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyHBPZUFDIHDNVGA-UHFFFAOYSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
4-(4-Chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063341
4-(4-Chloro-2-fluorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66067216
4-(4-Chlorophenyl)sulfonyl-3,5-diethylpiperazine-2,6-dione
CID 146386505
N-[(2R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106882
N-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 4316255
(2S)-2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9024231
(2R)-2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9024235
N-[1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 18159049
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-tert-butylpropanamide
CID 46630624
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 55430863

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione (CID 106606445) is 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The InChIKey is HBPZUFDIHDNVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)7-2-3-9(13)8(12)4-7/h2-4,6H,5H2,1H3,(H,14,16,17).
What are the key properties of 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione has a molecular weight of 381.64 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 106606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).