2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C11H15Br2N3O2S — CID 83023744

IUPAC2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H15Br2N3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyMRDSDOPIHWAFHC-UHFFFAOYSA-N
MW413.14 g/mol
LogP1.65
Rot. Bonds3

About 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide

2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 83023744) has the molecular formula C11H15Br2N3O2S and a molecular weight of 413.14 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID83023744
Molecular FormulaC11H15Br2N3O2S
Molecular Weight413.14 g/mol
Exact Mass410.93
IUPAC Name2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H15Br2N3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyMRDSDOPIHWAFHC-UHFFFAOYSA-N
XLogP1.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dibromo-N-(4-methylpiperazin-1-yl)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

4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
2,4-dibromo-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55871540
5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83022745
2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
CID 106075537
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83005831
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
3-bromo-4-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83003597
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
2-chloro-5-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016262
2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 61061159

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 83023744) is 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is MRDSDOPIHWAFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 413.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83023744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).