4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide

C11H13BrFN3O3S — CID 103707230

IUPAC4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H13BrFN3O3S/c12-9-7-8(1-2-10(9)13)11(17)15-3-5-16(6-4-15)20(14,18)19/h1-2,7H,3-6H2,(H2,14,18,19)
InChIKeyGBTCQSYZPIKQKY-UHFFFAOYSA-N
MW366.21 g/mol
LogP0.55
Rot. Bonds2

About 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide

4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide (PubChem CID 103707230) has the molecular formula C11H13BrFN3O3S and a molecular weight of 366.21 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
PubChem CID103707230
Molecular FormulaC11H13BrFN3O3S
Molecular Weight366.21 g/mol
Exact Mass364.98
IUPAC Name4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H13BrFN3O3S/c12-9-7-8(1-2-10(9)13)11(17)15-3-5-16(6-4-15)20(14,18)19/h1-2,7H,3-6H2,(H2,14,18,19)
InChIKeyGBTCQSYZPIKQKY-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

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Related Compounds

1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
4-(2-bromo-6-fluorobenzoyl)piperazine-1-sulfonamide
CID 115678904
1-[4-(3-bromo-4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 103706987
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide (CID 103707230) is 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide?
The InChIKey is GBTCQSYZPIKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O3S/c12-9-7-8(1-2-10(9)13)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-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide?
4-(3-bromo-4-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-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 103707230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).