4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide

C8H11BrN2O4S2 — CID 83092326

IUPAC4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)CBr)cc1
InChIInChI=1S/C8H11BrN2O4S2/c9-6-16(12,13)11-5-7-1-3-8(4-2-7)17(10,14)15/h1-4,11H,5-6H2,(H2,10,14,15)
InChIKeyUDVYJMPTJSMGBI-UHFFFAOYSA-N
MW343.22 g/mol
LogP0.11
Rot. Bonds5

About 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide

4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide (PubChem CID 83092326) has the molecular formula C8H11BrN2O4S2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
PubChem CID83092326
Molecular FormulaC8H11BrN2O4S2
Molecular Weight343.22 g/mol
Exact Mass341.93
IUPAC Name4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)CBr)cc1
InChIInChI=1S/C8H11BrN2O4S2/c9-6-16(12,13)11-5-7-1-3-8(4-2-7)17(10,14)15/h1-4,11H,5-6H2,(H2,10,14,15)
InChIKeyUDVYJMPTJSMGBI-UHFFFAOYSA-N
XLogP0.11
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(bromomethylsulfonylamino)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

4-[(3-aminopropylsulfonylamino)methyl]benzenesulfonamide
CID 60910335
N-benzyl-1-bromomethanesulfonamide
CID 75373678
4-[[(3-chloro-2-methylpropyl)sulfonylamino]methyl]benzenesulfonamide
CID 79580119
1-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]methanesulfonamide
CID 83085394
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 55387268
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122

Frequently Asked Questions

What is the IUPAC name of 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide (CID 83092326) is 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)CBr)cc1.
What is the InChIKey of 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide?
The InChIKey is UDVYJMPTJSMGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O4S2/c9-6-16(12,13)11-5-7-1-3-8(4-2-7)17(10,14)15/h1-4,11H,5-6H2,(H2,10,14,15).
What are the key properties of 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide?
4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide has a molecular weight of 343.22 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 83092326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).