4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide

C11H13Br2N3O3S — CID 103882891

IUPAC4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H13Br2N3O3S/c12-8-1-2-9(10(13)7-8)11(17)15-3-5-16(6-4-15)20(14,18)19/h1-2,7H,3-6H2,(H2,14,18,19)
InChIKeyZNRGXIQUDFIWME-UHFFFAOYSA-N
MW427.12 g/mol
LogP1.17
Rot. Bonds2

About 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide

4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide (PubChem CID 103882891) has the molecular formula C11H13Br2N3O3S and a molecular weight of 427.12 g/mol. Its IUPAC name is 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
PubChem CID103882891
Molecular FormulaC11H13Br2N3O3S
Molecular Weight427.12 g/mol
Exact Mass424.90
IUPAC Name4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H13Br2N3O3S/c12-8-1-2-9(10(13)7-8)11(17)15-3-5-16(6-4-15)20(14,18)19/h1-2,7H,3-6H2,(H2,14,18,19)
InChIKeyZNRGXIQUDFIWME-UHFFFAOYSA-N
XLogP1.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529
4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
(2,4-dibromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 103883074

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide (CID 103882891) is 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide?
The InChIKey is ZNRGXIQUDFIWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O3S/c12-8-1-2-9(10(13)7-8)11(17)15-3-5-16(6-4-15)20(14,18)19/h1-2,7H,3-6H2,(H2,14,18,19).
What are the key properties of 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide?
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide has a molecular weight of 427.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 103882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).