2-(2-bromo-N-ethylsulfonylanilino)acetamide

C10H13BrN2O3S — CID 50890360

IUPAC2-(2-bromo-N-ethylsulfonylanilino)acetamide
SMILESCCS(=O)(=O)N(CC(N)=O)c1ccccc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13(7-10(12)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,14)
InChIKeyBVWYIBRDQSNFLT-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.09
Rot. Bonds5

About 2-(2-bromo-N-ethylsulfonylanilino)acetamide

2-(2-bromo-N-ethylsulfonylanilino)acetamide (PubChem CID 50890360) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(2-bromo-N-ethylsulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-ethylsulfonylanilino)acetamide
PubChem CID50890360
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-(2-bromo-N-ethylsulfonylanilino)acetamide
SMILESCCS(=O)(=O)N(CC(N)=O)c1ccccc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13(7-10(12)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,14)
InChIKeyBVWYIBRDQSNFLT-UHFFFAOYSA-N
XLogP1.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
CID 50895476
N-(2-bromophenyl)-N-ethylmethanesulfonamide
CID 66980818
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538
3-(2-bromo-N-methylsulfonylanilino)propanoic acid
CID 50890506
4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1142839
2-(4-ethoxy-N-ethylsulfonylanilino)acetamide
CID 50893065
2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 126189881

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-ethylsulfonylanilino)acetamide?
The IUPAC name of 2-(2-bromo-N-ethylsulfonylanilino)acetamide (CID 50890360) is 2-(2-bromo-N-ethylsulfonylanilino)acetamide.
What is the SMILES notation for 2-(2-bromo-N-ethylsulfonylanilino)acetamide?
The canonical SMILES for 2-(2-bromo-N-ethylsulfonylanilino)acetamide is CCS(=O)(=O)N(CC(N)=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromo-N-ethylsulfonylanilino)acetamide?
The InChIKey is BVWYIBRDQSNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-2-17(15,16)13(7-10(12)14)9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,14).
What are the key properties of 2-(2-bromo-N-ethylsulfonylanilino)acetamide?
2-(2-bromo-N-ethylsulfonylanilino)acetamide has a molecular weight of 321.20 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-ethylsulfonylanilino)acetamide is sourced from PubChem (CID 50890360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).