2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide

C6H13BrN2O3S — CID 106335462

IUPAC2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
SMILESCCNS(=O)(=O)CCNC(=O)CBr
InChIInChI=1S/C6H13BrN2O3S/c1-2-9-13(11,12)4-3-8-6(10)5-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyFBDSQFDUDWQKED-UHFFFAOYSA-N
MW273.15 g/mol
LogP-0.56
Rot. Bonds6

About 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide

2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide (PubChem CID 106335462) has the molecular formula C6H13BrN2O3S and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
PubChem CID106335462
Molecular FormulaC6H13BrN2O3S
Molecular Weight273.15 g/mol
Exact Mass271.98
IUPAC Name2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
SMILESCCNS(=O)(=O)CCNC(=O)CBr
InChIInChI=1S/C6H13BrN2O3S/c1-2-9-13(11,12)4-3-8-6(10)5-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyFBDSQFDUDWQKED-UHFFFAOYSA-N
XLogP-0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
2-[(2-bromoacetyl)amino]ethanesulfonic acid
CID 19908000
2-(butan-2-ylamino)-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 114175247
7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide (CID 106335462) is 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide is CCNS(=O)(=O)CCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide?
The InChIKey is FBDSQFDUDWQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O3S/c1-2-9-13(11,12)4-3-8-6(10)5-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide?
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide has a molecular weight of 273.15 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 106335462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).