(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide

C12H17N3O4S — CID 54606442

IUPAC(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCCO/N=C(\C)C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17N3O4S/c1-4-19-14-10(3)12(16)13-15-20(17,18)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3,(H,13,16)/b14-10+
InChIKeyIXMYUHDXDHOIDL-GXDHUFHOSA-N
MW299.35 g/mol
LogP0.72
Rot. Bonds6

About (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide

(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 54606442) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID54606442
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCCO/N=C(\C)C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17N3O4S/c1-4-19-14-10(3)12(16)13-15-20(17,18)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3,(H,13,16)/b14-10+
InChIKeyIXMYUHDXDHOIDL-GXDHUFHOSA-N
XLogP0.72
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841174
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
4-[(E)-N-ethoxy-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 42924870
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 165343411
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide (CID 54606442) is (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide is CCO/N=C(\C)C(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is IXMYUHDXDHOIDL-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-4-19-14-10(3)12(16)13-15-20(17,18)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3,(H,13,16)/b14-10+.
What are the key properties of (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide?
(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 299.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 54606442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).