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

C9H11Br2N3O3S — CID 43310321

IUPAC2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C9H11Br2N3O3S/c1-13-8(15)4-14-18(16,17)9-6(11)2-5(10)3-7(9)12/h2-3,14H,4,12H2,1H3,(H,13,15)
InChIKeyLRDHZIZEUZWOLQ-UHFFFAOYSA-N
MW401.08 g/mol
LogP0.82
Rot. Bonds4

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

2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 43310321) has the molecular formula C9H11Br2N3O3S and a molecular weight of 401.08 g/mol. Its IUPAC name is 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
PubChem CID43310321
Molecular FormulaC9H11Br2N3O3S
Molecular Weight401.08 g/mol
Exact Mass398.89
IUPAC Name2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C9H11Br2N3O3S/c1-13-8(15)4-14-18(16,17)9-6(11)2-5(10)3-7(9)12/h2-3,14H,4,12H2,1H3,(H,13,15)
InChIKeyLRDHZIZEUZWOLQ-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide 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-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
CID 106095490
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
2-[(5-amino-3-bromo-2-chlorophenyl)sulfonylamino]-N-methylacetamide
CID 114274501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide (CID 43310321) is 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is LRDHZIZEUZWOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O3S/c1-13-8(15)4-14-18(16,17)9-6(11)2-5(10)3-7(9)12/h2-3,14H,4,12H2,1H3,(H,13,15).
What are the key properties of 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide?
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 401.08 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).