2-bromo-N-(2-sulfamoylethyl)propanamide

C5H11BrN2O3S — CID 107903383

IUPAC2-bromo-N-(2-sulfamoylethyl)propanamide
SMILESCC(Br)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H11BrN2O3S/c1-4(6)5(9)8-2-3-12(7,10)11/h4H,2-3H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyJFFCRBIGWCNLJQ-UHFFFAOYSA-N
MW259.12 g/mol
LogP-0.83
Rot. Bonds4

About 2-bromo-N-(2-sulfamoylethyl)propanamide

2-bromo-N-(2-sulfamoylethyl)propanamide (PubChem CID 107903383) has the molecular formula C5H11BrN2O3S and a molecular weight of 259.12 g/mol. Its IUPAC name is 2-bromo-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-sulfamoylethyl)propanamide
PubChem CID107903383
Molecular FormulaC5H11BrN2O3S
Molecular Weight259.12 g/mol
Exact Mass257.97
IUPAC Name2-bromo-N-(2-sulfamoylethyl)propanamide
SMILESCC(Br)C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C5H11BrN2O3S/c1-4(6)5(9)8-2-3-12(7,10)11/h4H,2-3H2,1H3,(H,8,9)(H2,7,10,11)
InChIKeyJFFCRBIGWCNLJQ-UHFFFAOYSA-N
XLogP-0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-sulfamoylethyl)propanamide 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

3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
N-(2-acetamidoethyl)-2-bromopropanamide
CID 82110777
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
N-methyl-2-(2-sulfamoylethylamino)propanamide
CID 114384925
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
2-(2-sulfamoylethylamino)propanamide
CID 114384800
3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
CID 162172859
(2R)-2-(2,6-dichlorophenyl)-N-(2-sulfamoylethyl)propanamide
CID 95282761
2-(5-methylthiophen-2-yl)-N-(2-sulfamoylethyl)propanamide
CID 75425056
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
2-bromo-N-(3-fluoropropyl)propanamide
CID 130503981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 2-bromo-N-(2-sulfamoylethyl)propanamide (CID 107903383) is 2-bromo-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-sulfamoylethyl)propanamide is CC(Br)C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-bromo-N-(2-sulfamoylethyl)propanamide?
The InChIKey is JFFCRBIGWCNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrN2O3S/c1-4(6)5(9)8-2-3-12(7,10)11/h4H,2-3H2,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 2-bromo-N-(2-sulfamoylethyl)propanamide?
2-bromo-N-(2-sulfamoylethyl)propanamide has a molecular weight of 259.12 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 107903383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).