(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate

C17H17NO3S2 — CID 123648959

IUPAC(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate
SMILESC=Cc1ccc(S(=O)(=O)ON=C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-4-15-7-11-17(12-8-15)23(19,20)21-18-14(3)22-16-9-5-13(2)6-10-16/h4-12H,1H2,2-3H3
InChIKeyWIHXWOIRRAPJCK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.47
Rot. Bonds5

About (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate

(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate (PubChem CID 123648959) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate.

Molecular Properties

Compound Name(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate
PubChem CID123648959
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC Name(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate
SMILESC=Cc1ccc(S(=O)(=O)ON=C(C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-4-15-7-11-17(12-8-15)23(19,20)21-18-14(3)22-16-9-5-13(2)6-10-16/h4-12H,1H2,2-3H3
InChIKeyWIHXWOIRRAPJCK-UHFFFAOYSA-N
XLogP4.47
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 2-(4-acetamidophenyl)sulfonyloxyimino-2-(4-methylphenyl)sulfanylacetate
CID 123189311
methyl 2-(4-methoxyphenyl)sulfonyloxyimino-2-(4-methylphenyl)sulfanylacetate
CID 123663829
(4-ethenylpyridin-1-ium-1-yl) 4-methylbenzenesulfonate
CID 87212308
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
ethyl 2-(4-methylphenyl)sulfonyloxyimino-2-(4-nitrophenyl)sulfanylacetate
CID 123446378
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
CID 87702131
CID 87702131
methyl 2-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]oxyimino-2-(4-methylphenyl)sulfanylacetate
CID 123559991
dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
CID 175432319
[1-(5-methyl-3-pyridinyl)ethylideneamino] 4-methylbenzenesulfonate
CID 72519095
ethyl (3E)-3-(4-methylphenyl)sulfonyloxyiminopentanoate
CID 177447347

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate?
The IUPAC name of (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate (CID 123648959) is (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate.
What is the SMILES notation for (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate?
The canonical SMILES for (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate is C=Cc1ccc(S(=O)(=O)ON=C(C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate?
The InChIKey is WIHXWOIRRAPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-4-15-7-11-17(12-8-15)23(19,20)21-18-14(3)22-16-9-5-13(2)6-10-16/h4-12H,1H2,2-3H3.
What are the key properties of (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate?
(4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate has a molecular weight of 347.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-(4-ethenylphenyl)sulfonyloxyethanimidothioate is sourced from PubChem (CID 123648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).