N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide

C9H12N2O3S — CID 3425755

IUPACN'-ethylsulfonyl-N-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)N=C(NO)c1ccccc1
InChIInChI=1S/C9H12N2O3S/c1-2-15(13,14)11-9(10-12)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,10,11)
InChIKeyQQMOMRNWORLRLW-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.76
Rot. Bonds3

About N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide

N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide (PubChem CID 3425755) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethylsulfonyl-N-hydroxybenzenecarboximidamide
PubChem CID3425755
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN'-ethylsulfonyl-N-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)N=C(NO)c1ccccc1
InChIInChI=1S/C9H12N2O3S/c1-2-15(13,14)11-9(10-12)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,10,11)
InChIKeyQQMOMRNWORLRLW-UHFFFAOYSA-N
XLogP0.76
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(cyanomethyl)-N-hydroxybenzenecarboximidamide
CID 130740122
N-(ethylsulfamoyl)benzamide
CID 154250118
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N-(benzhydrylideneamino)methanesulfonamide
CID 22613527
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 6109154

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide?
The IUPAC name of N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide (CID 3425755) is N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide is CCS(=O)(=O)N=C(NO)c1ccccc1.
What is the InChIKey of N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide?
The InChIKey is QQMOMRNWORLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-15(13,14)11-9(10-12)8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,10,11).
What are the key properties of N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide?
N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide has a molecular weight of 228.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfonyl-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 3425755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).