N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide

C20H24BrN3O3S — CID 16881055

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H24BrN3O3S/c21-19-8-4-7-18(15-19)20(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyPFTWLVUDFUFRPG-UHFFFAOYSA-N
MW466.40 g/mol
LogP2.33
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide (PubChem CID 16881055) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
PubChem CID16881055
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H24BrN3O3S/c21-19-8-4-7-18(15-19)20(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyPFTWLVUDFUFRPG-UHFFFAOYSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 43918902
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7423224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide (CID 16881055) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide is O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide?
The InChIKey is PFTWLVUDFUFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c21-19-8-4-7-18(15-19)20(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide has a molecular weight of 466.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide is sourced from PubChem (CID 16881055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).