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

C8H9Br2N3O3S — CID 43257086

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C8H9Br2N3O3S/c9-5-1-4(11)2-6(10)8(5)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyCYXOLDXGPQOAFY-UHFFFAOYSA-N
MW387.05 g/mol
LogP0.56
Rot. Bonds4

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

2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide (PubChem CID 43257086) has the molecular formula C8H9Br2N3O3S and a molecular weight of 387.05 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
PubChem CID43257086
Molecular FormulaC8H9Br2N3O3S
Molecular Weight387.05 g/mol
Exact Mass384.87
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C8H9Br2N3O3S/c9-5-1-4(11)2-6(10)8(5)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyCYXOLDXGPQOAFY-UHFFFAOYSA-N
XLogP0.56
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728
4-amino-2,6-dibromo-N-but-2-ynylbenzenesulfonamide
CID 113464460
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-amino-2,6-dibromo-N-pent-4-ynylbenzenesulfonamide
CID 106219913
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide (CID 43257086) is 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide?
The InChIKey is CYXOLDXGPQOAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N3O3S/c9-5-1-4(11)2-6(10)8(5)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14).
What are the key properties of 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide has a molecular weight of 387.05 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43257086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).