4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide

C11H13Br2N3O3S — CID 103908474

IUPAC4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C11H13Br2N3O3S/c12-9-5-8(6-10(13)7-9)11(17)15-1-3-16(4-2-15)20(14,18)19/h5-7H,1-4H2,(H2,14,18,19)
InChIKeyQFGVUOPRLRCQAF-UHFFFAOYSA-N
MW427.12 g/mol
LogP1.17
Rot. Bonds2

About 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide

4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide (PubChem CID 103908474) has the molecular formula C11H13Br2N3O3S and a molecular weight of 427.12 g/mol. Its IUPAC name is 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
PubChem CID103908474
Molecular FormulaC11H13Br2N3O3S
Molecular Weight427.12 g/mol
Exact Mass424.90
IUPAC Name4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C11H13Br2N3O3S/c12-9-5-8(6-10(13)7-9)11(17)15-1-3-16(4-2-15)20(14,18)19/h5-7H,1-4H2,(H2,14,18,19)
InChIKeyQFGVUOPRLRCQAF-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

4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
methyl 4-(3,5-dibromobenzoyl)piperazine-1-carboxylate
CID 103908088
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide (CID 103908474) is 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide?
The InChIKey is QFGVUOPRLRCQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O3S/c12-9-5-8(6-10(13)7-9)11(17)15-1-3-16(4-2-15)20(14,18)19/h5-7H,1-4H2,(H2,14,18,19).
What are the key properties of 4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide?
4-(3,5-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-(3,5-dibromobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 103908474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).