2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide

C10H13BrN2O3S — CID 63679707

IUPAC2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13-9-5-3-8(4-6-9)12-10(14)7-11/h3-6,13H,2,7H2,1H3,(H,12,14)
InChIKeyGYYRGUAGIFBMHK-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.78
Rot. Bonds5

About 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide

2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide (PubChem CID 63679707) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
PubChem CID63679707
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13-9-5-3-8(4-6-9)12-10(14)7-11/h3-6,13H,2,7H2,1H3,(H,12,14)
InChIKeyGYYRGUAGIFBMHK-UHFFFAOYSA-N
XLogP1.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide 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-bromo-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 113385211
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
sodium 4-[(2-bromoacetyl)amino]benzenesulfonate
CID 20688392
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide (CID 63679707) is 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide?
The InChIKey is GYYRGUAGIFBMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13-9-5-3-8(4-6-9)12-10(14)7-11/h3-6,13H,2,7H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide?
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide has a molecular weight of 321.20 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 63679707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).