2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide

C10H13Br2N3O3S — CID 103101045

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-2-15(5-9(14)16)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16)
InChIKeyPKIAMWZBQJVCJI-UHFFFAOYSA-N
MW415.11 g/mol
LogP1.29
Rot. Bonds5

About 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide

2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103101045) has the molecular formula C10H13Br2N3O3S and a molecular weight of 415.11 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
PubChem CID103101045
Molecular FormulaC10H13Br2N3O3S
Molecular Weight415.11 g/mol
Exact Mass412.90
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H13Br2N3O3S/c1-2-15(5-9(14)16)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16)
InChIKeyPKIAMWZBQJVCJI-UHFFFAOYSA-N
XLogP1.29
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.11
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61116167
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
CID 103103884
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide (CID 103101045) is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is PKIAMWZBQJVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O3S/c1-2-15(5-9(14)16)19(17,18)10-7(11)3-6(13)4-8(10)12/h3-4H,2,5,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 415.11 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103101045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).