2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

C11H15Br2N3O3S — CID 81326906

IUPAC2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)(C)/C(N)=N/O)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-6-4-8(13)9(5-7(6)12)20(18,19)16-11(2,3)10(14)15-17/h4-5,16-17H,1-3H3,(H2,14,15)
InChIKeyFQMKQSSYFKQRPU-UHFFFAOYSA-N
MW429.13 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 81326906) has the molecular formula C11H15Br2N3O3S and a molecular weight of 429.13 g/mol. Its IUPAC name is 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID81326906
Molecular FormulaC11H15Br2N3O3S
Molecular Weight429.13 g/mol
Exact Mass426.92
IUPAC Name2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)(C)/C(N)=N/O)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-6-4-8(13)9(5-7(6)12)20(18,19)16-11(2,3)10(14)15-17/h4-5,16-17H,1-3H3,(H2,14,15)
InChIKeyFQMKQSSYFKQRPU-UHFFFAOYSA-N
XLogP2.32
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54952549
methyl 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]propanoate
CID 81327925
2-[(2,5-dibromo-4-methylphenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 81327073
3-[(2,5-dibromo-4-methylphenyl)sulfonylamino]pentanethioamide
CID 81327479
1-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450230
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (CID 81326906) is 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is Cc1cc(Br)c(S(=O)(=O)NC(C)(C)/C(N)=N/O)cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FQMKQSSYFKQRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S/c1-6-4-8(13)9(5-7(6)12)20(18,19)16-11(2,3)10(14)15-17/h4-5,16-17H,1-3H3,(H2,14,15).
What are the key properties of 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 429.13 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 81326906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).