N'-hydroxy-4-methylsulfonylbenzenecarboximidamide

C8H10N2O3S — CID 22343270

IUPACN'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyASVKDPCGOIIZIN-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.18
Rot. Bonds2

About N'-hydroxy-4-methylsulfonylbenzenecarboximidamide

N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (PubChem CID 22343270) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methylsulfonylbenzenecarboximidamide
PubChem CID22343270
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyASVKDPCGOIIZIN-UHFFFAOYSA-N
XLogP0.18
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.18
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (CID 22343270) is N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is CS(=O)(=O)c1ccc(/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The InChIKey is ASVKDPCGOIIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
N'-hydroxy-4-methylsulfonylbenzenecarboximidamide has a molecular weight of 214.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 22343270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).