2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide

C13H21BrN4O2S — CID 63896855

IUPAC2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCN(C)C(CNS(=O)(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C13H21BrN4O2S/c1-17-5-6-18(2)11(9-17)8-16-21(19,20)13-4-3-10(14)7-12(13)15/h3-4,7,11,16H,5-6,8-9,15H2,1-2H3
InChIKeyOSNOIUXGHRCCRB-UHFFFAOYSA-N
MW377.31 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide

2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide (PubChem CID 63896855) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
PubChem CID63896855
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC Name2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCN(C)C(CNS(=O)(=O)c2ccc(Br)cc2N)C1
InChIInChI=1S/C13H21BrN4O2S/c1-17-5-6-18(2)11(9-17)8-16-21(19,20)13-4-3-10(14)7-12(13)15/h3-4,7,11,16H,5-6,8-9,15H2,1-2H3
InChIKeyOSNOIUXGHRCCRB-UHFFFAOYSA-N
XLogP0.56
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]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-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
2-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
CID 71997588
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
CID 75467486
2-amino-4-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61350401
N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
CID 164634958
4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-nitroaniline
CID 63898789
4-chloro-3-[(1,4-dimethylpiperazin-2-yl)methylsulfamoyl]-5-methylbenzoic acid
CID 167940802
2-bromo-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63897227
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide (CID 63896855) is 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide is CN1CCN(C)C(CNS(=O)(=O)c2ccc(Br)cc2N)C1.
What is the InChIKey of 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is OSNOIUXGHRCCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-17-5-6-18(2)11(9-17)8-16-21(19,20)13-4-3-10(14)7-12(13)15/h3-4,7,11,16H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide?
2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 377.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63896855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).