4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide

C11H13BrFN3O3S — CID 115678904

IUPAC4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C11H13BrFN3O3S/c12-8-2-1-3-9(13)10(8)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19)
InChIKeyXHKLLQSNMNQPHT-UHFFFAOYSA-N
MW366.21 g/mol
LogP0.55
Rot. Bonds2

About 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide

4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide (PubChem CID 115678904) has the molecular formula C11H13BrFN3O3S and a molecular weight of 366.21 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
PubChem CID115678904
Molecular FormulaC11H13BrFN3O3S
Molecular Weight366.21 g/mol
Exact Mass364.98
IUPAC Name4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C11H13BrFN3O3S/c12-8-2-1-3-9(13)10(8)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19)
InChIKeyXHKLLQSNMNQPHT-UHFFFAOYSA-N
XLogP0.55
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
(2-bromo-6-fluorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 114560996
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
(2-bromo-6-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113257009
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561026
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 114560153
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 114559212
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide (CID 115678904) is 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Br)CC1.
What is the InChIKey of 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide?
The InChIKey is XHKLLQSNMNQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O3S/c12-8-2-1-3-9(13)10(8)11(17)15-4-6-16(7-5-15)20(14,18)19/h1-3H,4-7H2,(H2,14,18,19).
What are the key properties of 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide?
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide has a molecular weight of 366.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 115678904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).