N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide

C20H24BrN3O3S — CID 1129527

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-10-6-5-9-18(19)21)16-20(25)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyBNWAZDHMLXCIJN-UHFFFAOYSA-N
MW466.40 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide (PubChem CID 1129527) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
PubChem CID1129527
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-10-6-5-9-18(19)21)16-20(25)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyBNWAZDHMLXCIJN-UHFFFAOYSA-N
XLogP2.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2302024
2-[(4-Bromo-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581140
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-ethyl-1-phenylmethanesulfonamide
CID 89659369
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-1-phenyl-N-propylmethanesulfonamide
CID 89659412
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-1-phenyl-N-propan-2-ylmethanesulfonamide
CID 89659415
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)methanesulfonamide
CID 1000738
N-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-phenethyl-methanesulfonamide
CID 1021967
N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1135498

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide (CID 1129527) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide?
The InChIKey is BNWAZDHMLXCIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-10-6-5-9-18(19)21)16-20(25)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide has a molecular weight of 466.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide is sourced from PubChem (CID 1129527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).