ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate

C12H14ClNO4S — CID 54921365

IUPACethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4S/c1-2-18-12(15)9-14-19(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,14H,2,9H2,1H3/b8-7+
InChIKeyKTRCHBWPDRPYIX-BQYQJAHWSA-N
MW303.77 g/mol
LogP1.79
Rot. Bonds6

About ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate

ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate (PubChem CID 54921365) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
PubChem CID54921365
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Nameethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4S/c1-2-18-12(15)9-14-19(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,14H,2,9H2,1H3/b8-7+
InChIKeyKTRCHBWPDRPYIX-BQYQJAHWSA-N
XLogP1.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954285
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 27278992
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
(2-fluorophenyl)methyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397922
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397883
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetate
CID 22750871
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
CID 103597906
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954271

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate (CID 54921365) is ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate?
The InChIKey is KTRCHBWPDRPYIX-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-2-18-12(15)9-14-19(16,17)8-7-10-3-5-11(13)6-4-10/h3-8,14H,2,9H2,1H3/b8-7+.
What are the key properties of ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate?
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate has a molecular weight of 303.77 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate is sourced from PubChem (CID 54921365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).