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

C18H18BrF2N3O3S — CID 3236097

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18BrF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyXXTXXGZRMQMADG-UHFFFAOYSA-N
MW474.33 g/mol
LogP2.67
Rot. Bonds5

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

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 3236097) has the molecular formula C18H18BrF2N3O3S and a molecular weight of 474.33 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID3236097
Molecular FormulaC18H18BrF2N3O3S
Molecular Weight474.33 g/mol
Exact Mass473.02
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18BrF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyXXTXXGZRMQMADG-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 1365184
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
N-{4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenyl}-propionamide
CID 1091555
4-Fluoro-N-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-methyl-benzenesulfonamide
CID 1305605
4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
CID 2216524
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 2711536
1-[(4-bromophenyl)sulfonyl]-N-(4-fluorophenyl)-2-pyrrolidinecarboxamide
CID 2768766
N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2956678
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2991092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 3236097) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is XXTXXGZRMQMADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 474.33 g/mol, XLogP of 2.67, 5 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]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 3236097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).