3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide

C8H9FN2O3S — CID 123200565

IUPAC3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(C(N)=NO)cc1F
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)7-3-2-5(4-6(7)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyQXJNSQJCLUKZTH-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.32
Rot. Bonds2

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

3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (PubChem CID 123200565) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
PubChem CID123200565
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(C(N)=NO)cc1F
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)7-3-2-5(4-6(7)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyQXJNSQJCLUKZTH-UHFFFAOYSA-N
XLogP0.32
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
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-sulfamoylbenzenecarboximidamide
CID 76644653
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351
3-fluoro-N'-hydroxy-4-[(3-methylsulfonylpropylamino)methyl]benzenecarboximidamide
CID 77031947
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
methyl 2-[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86721971
3-fluoro-N'-hydroxy-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816592
2,2,2-trifluoro-N'-(3-fluoro-4-methylsulfonylanilino)ethanimidamide
CID 88971956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (CID 123200565) is 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is CS(=O)(=O)c1ccc(C(N)=NO)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The InChIKey is QXJNSQJCLUKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c1-15(13,14)7-3-2-5(4-6(7)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide has a molecular weight of 232.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 123200565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).