ethyl N-(benzenesulfonyl)benzenecarboximidate

C15H15NO3S — CID 21203329

IUPACethyl N-(benzenesulfonyl)benzenecarboximidate
SMILESCCOC(=NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-2-19-15(13-9-5-3-6-10-13)16-20(17,18)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyLEIMCFZOQSFGAN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.86
Rot. Bonds4

About ethyl N-(benzenesulfonyl)benzenecarboximidate

ethyl N-(benzenesulfonyl)benzenecarboximidate (PubChem CID 21203329) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl N-(benzenesulfonyl)benzenecarboximidate.

Molecular Properties

Compound Nameethyl N-(benzenesulfonyl)benzenecarboximidate
PubChem CID21203329
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Nameethyl N-(benzenesulfonyl)benzenecarboximidate
SMILESCCOC(=NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-2-19-15(13-9-5-3-6-10-13)16-20(17,18)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyLEIMCFZOQSFGAN-UHFFFAOYSA-N
XLogP2.86
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,4Z)-4-(benzenesulfonylimino)-4-phenylbut-2-enoate
CID 177392982
(2-ethyl-5-methylphenyl) (E)-N-(benzenesulfonyl)benzenecarboximidate
CID 44721598
[(E)-N-(benzenesulfonyl)-C-(4-methylphenyl)carbonimidoyl] 4-methylbenzoate
CID 6125087
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
(2-methyl-5-propan-2-ylphenyl) N-(benzenesulfonyl)benzenecarboximidate
CID 5076051
ethyl N-ethynylbenzenecarboximidate
CID 134869997
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2350134
ethyl N-butylbenzenecarboximidate
CID 19093178
N'-(benzenesulfonyl)-N,N-di(pentan-2-yl)benzenecarboximidamide
CID 18477611
(1-methylpiperidin-4-yl) N-(4-methylphenyl)sulfonylbenzenecarboximidate;hydrochloride
CID 75105051
ethyl benzoate;sulfuryl dichloride
CID 159512060
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329

Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzenesulfonyl)benzenecarboximidate?
The IUPAC name of ethyl N-(benzenesulfonyl)benzenecarboximidate (CID 21203329) is ethyl N-(benzenesulfonyl)benzenecarboximidate.
What is the SMILES notation for ethyl N-(benzenesulfonyl)benzenecarboximidate?
The canonical SMILES for ethyl N-(benzenesulfonyl)benzenecarboximidate is CCOC(=NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-(benzenesulfonyl)benzenecarboximidate?
The InChIKey is LEIMCFZOQSFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-19-15(13-9-5-3-6-10-13)16-20(17,18)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl N-(benzenesulfonyl)benzenecarboximidate?
ethyl N-(benzenesulfonyl)benzenecarboximidate has a molecular weight of 289.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzenesulfonyl)benzenecarboximidate is sourced from PubChem (CID 21203329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).