3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide

C11H14Cl2FN3O3S — CID 103089471

IUPAC3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H14Cl2FN3O3S/c1-2-6(5-9(15)16-18)17-21(19,20)8-4-3-7(12)11(14)10(8)13/h3-4,6,17-18H,2,5H2,1H3,(H2,15,16)
InChIKeyITERGOIOALKBGC-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.33
Rot. Bonds6

About 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide

3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide (PubChem CID 103089471) has the molecular formula C11H14Cl2FN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
PubChem CID103089471
Molecular FormulaC11H14Cl2FN3O3S
Molecular Weight358.22 g/mol
Exact Mass357.01
IUPAC Name3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H14Cl2FN3O3S/c1-2-6(5-9(15)16-18)17-21(19,20)8-4-3-7(12)11(14)10(8)13/h3-4,6,17-18H,2,5H2,1H3,(H2,15,16)
InChIKeyITERGOIOALKBGC-UHFFFAOYSA-N
XLogP2.33
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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'}

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Related Compounds

N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089775
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
CID 55101688
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
3-[(3,4-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 76947675
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide (CID 103089471) is 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The InChIKey is ITERGOIOALKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN3O3S/c1-2-6(5-9(15)16-18)17-21(19,20)8-4-3-7(12)11(14)10(8)13/h3-4,6,17-18H,2,5H2,1H3,(H2,15,16).
What are the key properties of 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide has a molecular weight of 358.22 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 103089471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).