2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

C8H12BrN3O3S2 — CID 54952549

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)c1sccc1Br)C(N)=NO
InChIInChI=1S/C8H12BrN3O3S2/c1-8(2,7(10)11-13)12-17(14,15)6-5(9)3-4-16-6/h3-4,12-13H,1-2H3,(H2,10,11)
InChIKeyHODWQCNVGNREGW-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54952549) has the molecular formula C8H12BrN3O3S2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54952549
Molecular FormulaC8H12BrN3O3S2
Molecular Weight342.24 g/mol
Exact Mass340.95
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)c1sccc1Br)C(N)=NO
InChIInChI=1S/C8H12BrN3O3S2/c1-8(2,7(10)11-13)12-17(14,15)6-5(9)3-4-16-6/h3-4,12-13H,1-2H3,(H2,10,11)
InChIKeyHODWQCNVGNREGW-UHFFFAOYSA-N
XLogP1.31
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 81326906
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 109374287
4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904502
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
[(3-bromothiophen-2-yl)sulfonylamino] acetate
CID 58302687
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (CID 54952549) is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is CC(C)(NS(=O)(=O)c1sccc1Br)C(N)=NO.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is HODWQCNVGNREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O3S2/c1-8(2,7(10)11-13)12-17(14,15)6-5(9)3-4-16-6/h3-4,12-13H,1-2H3,(H2,10,11).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 342.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54952549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).