N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide

C10H12F3N3O3S — CID 76952828

IUPACN'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
SMILESNC(CCCNS(=O)(=O)c1c(F)cc(F)cc1F)=NO
InChIInChI=1S/C10H12F3N3O3S/c11-6-4-7(12)10(8(13)5-6)20(18,19)15-3-1-2-9(14)16-17/h4-5,15,17H,1-3H2,(H2,14,16)
InChIKeyDKENYJAFDIXBHD-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.91
Rot. Bonds6

About N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide

N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide (PubChem CID 76952828) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
PubChem CID76952828
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC NameN'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
SMILESNC(CCCNS(=O)(=O)c1c(F)cc(F)cc1F)=NO
InChIInChI=1S/C10H12F3N3O3S/c11-6-4-7(12)10(8(13)5-6)20(18,19)15-3-1-2-9(14)16-17/h4-5,15,17H,1-3H2,(H2,14,16)
InChIKeyDKENYJAFDIXBHD-UHFFFAOYSA-N
XLogP0.91
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide 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

4-fluoro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 2322159
N-(3,4-dihydro-2H-pyrrol-5-yl)-2,4-difluorobenzenesulfonamide
CID 2330843
2,4-difluoro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 2354443
2,5-difluoro-N-(hexahydro-2-azepinylidene)benzenesulfonamide
CID 2386040
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-fluorobenzenesulfonamide
CID 2321602
2-(4-Fluorobenzenesulfonamido)ethanimidamide hydrochloride
CID 71756819
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-2,4-difluorobenzenesulfonamide
CID 7746181
N'-[4-(benzenesulfonamido)butyl]-2-fluoroethanimidamide
CID 54758429
3-[(3-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992042
3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992091
3-[(4-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992337
3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992905

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide (CID 76952828) is N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide is NC(CCCNS(=O)(=O)c1c(F)cc(F)cc1F)=NO.
What is the InChIKey of N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide?
The InChIKey is DKENYJAFDIXBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c11-6-4-7(12)10(8(13)5-6)20(18,19)15-3-1-2-9(14)16-17/h4-5,15,17H,1-3H2,(H2,14,16).
What are the key properties of N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide?
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide has a molecular weight of 311.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide is sourced from PubChem (CID 76952828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).