2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

C13H20BrN3O2S — CID 60703082

IUPAC2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11H2,1H3
InChIKeyNDGAKYVLYSZEAQ-UHFFFAOYSA-N
MW362.29 g/mol
LogP0.97
Rot. Bonds5

About 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 60703082) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID60703082
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C13H20BrN3O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11H2,1H3
InChIKeyNDGAKYVLYSZEAQ-UHFFFAOYSA-N
XLogP0.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]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-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
2-bromo-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide;hydrochloride
CID 21091779
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
3-bromo-5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112812715
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 60703082) is 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is CN1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is NDGAKYVLYSZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-16-8-10-17(11-9-16)7-6-15-20(18,19)13-5-3-2-4-12(13)14/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).