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

C12H17BrN2O3S — CID 46736589

IUPAC2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-15(4-2)19(17,18)11-7-5-10(6-8-11)14-12(16)9-13/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyWBCGFAZQLDQWJO-UHFFFAOYSA-N
MW349.25 g/mol
LogP2.05
Rot. Bonds6

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

2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 46736589) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID46736589
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-15(4-2)19(17,18)11-7-5-10(6-8-11)14-12(16)9-13/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyWBCGFAZQLDQWJO-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901828
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3251537
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 46736589) is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is WBCGFAZQLDQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-3-15(4-2)19(17,18)11-7-5-10(6-8-11)14-12(16)9-13/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 349.25 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 46736589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).