2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide

C11H16N2O4S — CID 54914844

IUPAC2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)CCOc1ccccc1/C(N)=N/O
InChIInChI=1S/C11H16N2O4S/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13)
InChIKeyXXLOUKKPVKTHPH-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide

2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 54914844) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID54914844
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)CCOc1ccccc1/C(N)=N/O
InChIInChI=1S/C11H16N2O4S/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13)
InChIKeyXXLOUKKPVKTHPH-UHFFFAOYSA-N
XLogP0.59
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 115597531
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-(3-ethylsulfonylpropoxy)benzenecarbothioamide
CID 65092803
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid
CID 43310232
ethyl 2-[2-(2-acetylphenoxy)ethylsulfonyl]acetate
CID 64635410
potassium [2-(2-ethylsulfonylethoxy)phenyl]-trifluoroboranuide
CID 106726730
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
2-(2-propylsulfonylethoxy)phenol
CID 106726690

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide (CID 54914844) is 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide is CCS(=O)(=O)CCOc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is XXLOUKKPVKTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-18(15,16)8-7-17-10-6-4-3-5-9(10)11(12)13-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13).
What are the key properties of 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide?
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 272.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).