5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide

C11H15Br2N3O3S — CID 106233643

IUPAC5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c12-7-5-8(13)11(9(14)6-7)20(18,19)16-4-2-1-3-10(15)17/h5-6,16H,1-4,14H2,(H2,15,17)
InChIKeyUWWLEIRIIJSJCP-UHFFFAOYSA-N
MW429.13 g/mol
LogP1.73
Rot. Bonds7

About 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide

5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide (PubChem CID 106233643) has the molecular formula C11H15Br2N3O3S and a molecular weight of 429.13 g/mol. Its IUPAC name is 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
PubChem CID106233643
Molecular FormulaC11H15Br2N3O3S
Molecular Weight429.13 g/mol
Exact Mass426.92
IUPAC Name5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c12-7-5-8(13)11(9(14)6-7)20(18,19)16-4-2-1-3-10(15)17/h5-6,16H,1-4,14H2,(H2,15,17)
InChIKeyUWWLEIRIIJSJCP-UHFFFAOYSA-N
XLogP1.73
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
CID 106095490
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-amino-N-[3-[benzyl(methyl)amino]propyl]-4,6-dibromobenzenesulfonamide
CID 113222919
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide (CID 106233643) is 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide is NC(=O)CCCCNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide?
The InChIKey is UWWLEIRIIJSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S/c12-7-5-8(13)11(9(14)6-7)20(18,19)16-4-2-1-3-10(15)17/h5-6,16H,1-4,14H2,(H2,15,17).
What are the key properties of 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide?
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide has a molecular weight of 429.13 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 106233643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).