2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide

C11H15BrN2O4S — CID 26543777

IUPAC2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-18-6-5-13-11(15)8-14-19(16,17)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeySBCQSTMDDWUFCD-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.49
Rot. Bonds7

About 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide

2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 26543777) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
PubChem CID26543777
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-18-6-5-13-11(15)8-14-19(16,17)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeySBCQSTMDDWUFCD-UHFFFAOYSA-N
XLogP0.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301501
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 115578393
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301433
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
CID 112700031
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide (CID 26543777) is 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is SBCQSTMDDWUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-18-6-5-13-11(15)8-14-19(16,17)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 351.22 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 26543777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).