3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide

C7H8FN3O3S — CID 76644653

IUPAC3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C7H8FN3O3S/c8-5-3-4(7(9)11-12)1-2-6(5)15(10,13)14/h1-3,12H,(H2,9,11)(H2,10,13,14)
InChIKeyPHEPSTDYPTUMCX-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.43
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide

3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide (PubChem CID 76644653) has the molecular formula C7H8FN3O3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
PubChem CID76644653
Molecular FormulaC7H8FN3O3S
Molecular Weight233.22 g/mol
Exact Mass233.03
IUPAC Name3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C7H8FN3O3S/c8-5-3-4(7(9)11-12)1-2-6(5)15(10,13)14/h1-3,12H,(H2,9,11)(H2,10,13,14)
InChIKeyPHEPSTDYPTUMCX-UHFFFAOYSA-N
XLogP-0.43
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.43
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

3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 123200565
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
CID 24834739
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide (CID 76644653) is 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide is NC(=NO)c1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide?
The InChIKey is PHEPSTDYPTUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3S/c8-5-3-4(7(9)11-12)1-2-6(5)15(10,13)14/h1-3,12H,(H2,9,11)(H2,10,13,14).
What are the key properties of 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide has a molecular weight of 233.22 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 76644653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).