N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C20H24BrN3O3S — CID 2956678

IUPACN-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24BrN3O3S/c1-2-22-11-13-23(14-12-22)20(25)16-24(18-8-6-7-17(21)15-18)28(26,27)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3
InChIKeyYMHCODWBLKKOFS-UHFFFAOYSA-N
MW466.40 g/mol
LogP2.81
Rot. Bonds6

About N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 2956678) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID2956678
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24BrN3O3S/c1-2-22-11-13-23(14-12-22)20(25)16-24(18-8-6-7-17(21)15-18)28(26,27)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3
InChIKeyYMHCODWBLKKOFS-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide 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

2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3236097
1-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-4-phenylpiperazine
CID 3239364
2-[(4-Bromo-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581140
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
CID 1129527
4-Fluoro-N-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-methyl-benzenesulfonamide
CID 1305605
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)methanesulfonamide
CID 1339092
2-(3-bromo-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 2272992
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 2711536
2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(4-fluorophenyl)acetamide
CID 3238030
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4806474
N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822294

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 2956678) is N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is CCN1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is YMHCODWBLKKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-2-22-11-13-23(14-12-22)20(25)16-24(18-8-6-7-17(21)15-18)28(26,27)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 466.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2956678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).