2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide

C8H9ClFN3O3S — CID 105400574

IUPAC2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESN/C(CNS(=O)(=O)c1cc(F)ccc1Cl)=N/O
InChIInChI=1S/C8H9ClFN3O3S/c9-6-2-1-5(10)3-7(6)17(15,16)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13)
InChIKeyCKAUQTZWLGXGCB-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.50
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide

2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide (PubChem CID 105400574) has the molecular formula C8H9ClFN3O3S and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
PubChem CID105400574
Molecular FormulaC8H9ClFN3O3S
Molecular Weight281.70 g/mol
Exact Mass281.00
IUPAC Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESN/C(CNS(=O)(=O)c1cc(F)ccc1Cl)=N/O
InChIInChI=1S/C8H9ClFN3O3S/c9-6-2-1-5(10)3-7(6)17(15,16)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13)
InChIKeyCKAUQTZWLGXGCB-UHFFFAOYSA-N
XLogP0.50
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.50
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'}

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Related Compounds

N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 115610703
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2-[(2-chloro-5-fluorophenyl)sulfonylamino]oxyacetamide
CID 105400000
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170
4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76953333
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide (CID 105400574) is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide is N/C(CNS(=O)(=O)c1cc(F)ccc1Cl)=N/O.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide?
The InChIKey is CKAUQTZWLGXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O3S/c9-6-2-1-5(10)3-7(6)17(15,16)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide?
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide has a molecular weight of 281.70 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 105400574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).