2-(Phenylsulfonyl)-ethanimidic acid ethyl ester

HCID 70089442

Notes Reactions

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Basic information

Standard SMILES: CCOC(=N)CS(=O)(=O)c1ccccc1
InChIKey: HNEDDHJGMJFSFJ-UHFFFAOYSA-N
Molecular formula: C10H13NO3S
Average molar mass: 227.28 g/mol

Names & identifiers

Preferred name: 2-(Phenylsulfonyl)-ethanimidic acid ethyl ester
IUPAC: ethyl 2-(benzenesulfonyl)ethanimidate

Names & synonyms

SCHEMBL7428853HNEDDHJGMJFSFJ-UHFFFAOYSA-N2-(phenylsulfonyl)-ethanimidic acid ethyl ester

Database identifiers

PubChem CID: 70089442

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 299

Related reactions

11 records

New reaction record

HRID 88043As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120590As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120914As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 193800As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 277027As reactantuspto-grants-2002_03

HRID 277030As reactantuspto-grants-2002_03

HRID 292913As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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