2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide

C12H16BrN3O3S — CID 3654687

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)9-12(14)17/h1-4H,5-9H2,(H2,14,17)
InChIKeyXKNWCNFVIRTAIU-UHFFFAOYSA-N
MW362.25 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 3654687) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID3654687
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)9-12(14)17/h1-4H,5-9H2,(H2,14,17)
InChIKeyXKNWCNFVIRTAIU-UHFFFAOYSA-N
XLogP0.24
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide 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

1-(4-Bromophenylsulfonyl)-4-methylpiperazine
CID 710729
4-((3-Bromophenyl)sulfonyl)piperazin-2-one
CID 7509967
4-Bromo-N-(2-diethylamino-ethyl)-benzenesulfonamide
CID 4879851
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N-methylglycinamide
CID 2243369
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-[3-(4-morpholinyl)propyl]glycinamide
CID 2977526
4-Bromo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10497826
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 44570922
1,4-Bis[(4-bromophenyl)sulfonyl]piperazine-2,5-dione
CID 145973991
4-((2,5-Dibromophenyl)sulfonyl)piperazin-2-one
CID 2604506
N~2~-[(4-bromophenyl)sulfonyl]-N~1~-cyclopentylglycinamide
CID 1296266
2-[4-(3-Bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 16309309
2-[[(4-bromophenyl)sulfonyl](methyl)amino]-N-cyclopropylacetamide
CID 804429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide (CID 3654687) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide is NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is XKNWCNFVIRTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c13-10-1-3-11(4-2-10)20(18,19)16-7-5-15(6-8-16)9-12(14)17/h1-4H,5-9H2,(H2,14,17).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 362.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 3654687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).