N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide

C9H12N2O3S — CID 2794668

IUPACN'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
SMILESCc1ccc(S(=O)(=O)CC(N)=NO)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChIKeyZPEOWHYBZZPAEJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.52
Rot. Bonds3

About N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide

N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide (PubChem CID 2794668) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
PubChem CID2794668
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
SMILESCc1ccc(S(=O)(=O)CC(N)=NO)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChIKeyZPEOWHYBZZPAEJ-UHFFFAOYSA-N
XLogP0.52
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.52
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

1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
CID 134852362
N'-hydroxy-3-[(4-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 76911536
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
[3-(4-methylphenyl)sulfonylprop-1-en-2-ylamino]thiourea
CID 2297779
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
3-methyl-4-(4-methylphenyl)sulfonylbut-2-en-1-ol
CID 54270848
(4-methylphenyl)sulfonylmethylthiourea
CID 15864848
2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
CID 54339906
2,2,2-trichloroethyl 2-(4-methylphenyl)sulfonylacetate
CID 14709852

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide (CID 2794668) is N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide is Cc1ccc(S(=O)(=O)CC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide?
The InChIKey is ZPEOWHYBZZPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide?
N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide has a molecular weight of 228.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide is sourced from PubChem (CID 2794668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).