2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide

C10H12BrFN2O3S — CID 103103881

IUPAC2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFN2O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeySBASWWIDDQMLMV-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.08
Rot. Bonds5

About 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide

2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103103881) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID103103881
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFN2O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeySBASWWIDDQMLMV-UHFFFAOYSA-N
XLogP1.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779
4-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 116527494
methyl 2-[(4-bromo-2-fluorophenyl)sulfonyl-propylamino]acetate
CID 116528004
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 116527347

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide (CID 103103881) is 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is SBASWWIDDQMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide?
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 339.19 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103103881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).