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

C8H12BrN3O3S2 — CID 109374287

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)c1sccc1Br)/C(N)=N/O
InChIInChI=1S/C8H12BrN3O3S2/c1-2-6(7(10)11-13)12-17(14,15)8-5(9)3-4-16-8/h3-4,6,12-13H,2H2,1H3,(H2,10,11)
InChIKeyDEHNNJCFIHWKNC-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.31
Rot. Bonds5

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

2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 109374287) 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'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID109374287
Molecular FormulaC8H12BrN3O3S2
Molecular Weight342.24 g/mol
Exact Mass340.95
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)c1sccc1Br)/C(N)=N/O
InChIInChI=1S/C8H12BrN3O3S2/c1-2-6(7(10)11-13)12-17(14,15)8-5(9)3-4-16-8/h3-4,6,12-13H,2H2,1H3,(H2,10,11)
InChIKeyDEHNNJCFIHWKNC-UHFFFAOYSA-N
XLogP1.31
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61063305
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54952549
3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
2-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478980
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
CID 97225503
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
4-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904502
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide (CID 109374287) is 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide is CCC(NS(=O)(=O)c1sccc1Br)/C(N)=N/O.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is DEHNNJCFIHWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O3S2/c1-2-6(7(10)11-13)12-17(14,15)8-5(9)3-4-16-8/h3-4,6,12-13H,2H2,1H3,(H2,10,11).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 342.24 g/mol, XLogP of 1.31, 5 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'-hydroxybutanimidamide is sourced from PubChem (CID 109374287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).