3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide

C11H12BrN5O3S — CID 107790886

IUPAC3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Br)c1
InChIInChI=1S/C11H12BrN5O3S/c1-17-5-10(14-6-17)21(19,20)16-9-3-2-7(4-8(9)12)11(13)15-18/h2-6,16,18H,1H3,(H2,13,15)
InChIKeyJAFZLOBICJUSNZ-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.08
Rot. Bonds4

About 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide

3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide (PubChem CID 107790886) has the molecular formula C11H12BrN5O3S and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
PubChem CID107790886
Molecular FormulaC11H12BrN5O3S
Molecular Weight374.22 g/mol
Exact Mass372.98
IUPAC Name3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Br)c1
InChIInChI=1S/C11H12BrN5O3S/c1-17-5-10(14-6-17)21(19,20)16-9-3-2-7(4-8(9)12)11(13)15-18/h2-6,16,18H,1H3,(H2,13,15)
InChIKeyJAFZLOBICJUSNZ-UHFFFAOYSA-N
XLogP1.08
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide 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

N'-hydroxy-3-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 76942000
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
3-bromo-N'-hydroxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 107790817
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 107790494
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
3-bromo-4-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 107790866
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide (CID 107790886) is 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide is Cn1cnc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide?
The InChIKey is JAFZLOBICJUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3S/c1-17-5-10(14-6-17)21(19,20)16-9-3-2-7(4-8(9)12)11(13)15-18/h2-6,16,18H,1H3,(H2,13,15).
What are the key properties of 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide?
3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide has a molecular weight of 374.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide is sourced from PubChem (CID 107790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).