4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide

C12H18N2O5S — CID 61058058

IUPAC4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCS(=O)(=O)CCOc1ccc(/C(N)=N/O)cc1OC
InChIInChI=1S/C12H18N2O5S/c1-3-20(16,17)7-6-19-10-5-4-9(12(13)14-15)8-11(10)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeySESMDMJSIJFLTL-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.60
Rot. Bonds7

About 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide

4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide (PubChem CID 61058058) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
PubChem CID61058058
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCS(=O)(=O)CCOc1ccc(/C(N)=N/O)cc1OC
InChIInChI=1S/C12H18N2O5S/c1-3-20(16,17)7-6-19-10-5-4-9(12(13)14-15)8-11(10)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeySESMDMJSIJFLTL-UHFFFAOYSA-N
XLogP0.60
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
4-(3-ethylsulfonylpropoxy)-3-methoxybenzenecarbothioamide
CID 65092857
4-(3-ethylsulfonylpropoxy)-3-methoxybenzoic acid
CID 65093653
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide
CID 44573805
3-(2-tert-butylsulfonylethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656742

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide (CID 61058058) is 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide is CCS(=O)(=O)CCOc1ccc(/C(N)=N/O)cc1OC.
What is the InChIKey of 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The InChIKey is SESMDMJSIJFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-20(16,17)7-6-19-10-5-4-9(12(13)14-15)8-11(10)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide has a molecular weight of 302.35 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 61058058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).