3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

C10H13F2N3O3S — CID 76934796

IUPAC3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2N3O3S/c1-6(4-10(13)14-16)15-19(17,18)9-5-7(11)2-3-8(9)12/h2-3,5-6,15-16H,4H2,1H3,(H2,13,14)
InChIKeyVCUOKSQVBLTMOZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.77
Rot. Bonds5

About 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide

3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76934796) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76934796
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2N3O3S/c1-6(4-10(13)14-16)15-19(17,18)9-5-7(11)2-3-8(9)12/h2-3,5-6,15-16H,4H2,1H3,(H2,13,14)
InChIKeyVCUOKSQVBLTMOZ-UHFFFAOYSA-N
XLogP0.77
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.77
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'}

Analyze 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide 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-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329
3-[(2,5-difluorophenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911538
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76934796) is 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is VCUOKSQVBLTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c1-6(4-10(13)14-16)15-19(17,18)9-5-7(11)2-3-8(9)12/h2-3,5-6,15-16H,4H2,1H3,(H2,13,14).
What are the key properties of 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide?
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 293.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76934796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).