ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate

C11H16N2O3S — CID 71813563

IUPACethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
SMILESCCO/C(C)=N\N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-4-16-10(2)12-13(3)17(14,15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/b12-10-
InChIKeyJQHGJJSRRZIRSM-BENRWUELSA-N
MW256.33 g/mol
LogP1.68
Rot. Bonds4

About ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate

ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate (PubChem CID 71813563) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
PubChem CID71813563
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
SMILESCCO/C(C)=N\N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-4-16-10(2)12-13(3)17(14,15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/b12-10-
InChIKeyJQHGJJSRRZIRSM-BENRWUELSA-N
XLogP1.68
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
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[benzenesulfonyl(ethoxycarbonyl)amino] ethyl carbonate
CID 10567477
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
N-(benzenesulfonyl)-N-ethylacetamide
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ethyl N-(benzenesulfonyl)benzenecarboximidate
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N'-(benzenesulfonyl)-N'-methylbutanediamide
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N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide
CID 54452615
(1Z)-N-[benzenesulfonyl(methyl)amino]-4-methylbenzenecarboximidoyl azide
CID 13165428
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
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CID 1303909

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate?
The IUPAC name of ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate (CID 71813563) is ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate.
What is the SMILES notation for ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate?
The canonical SMILES for ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate is CCO/C(C)=N\N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate?
The InChIKey is JQHGJJSRRZIRSM-BENRWUELSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-16-10(2)12-13(3)17(14,15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/b12-10-.
What are the key properties of ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate?
ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate has a molecular weight of 256.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate is sourced from PubChem (CID 71813563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).