ethyl 2-naphthalen-2-ylsulfonylacetate

C14H14O4S — CID 975989

IUPACethyl 2-naphthalen-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O4S/c1-2-18-14(15)10-19(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
InChIKeyYBDBZISKURRTLA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.18
Rot. Bonds4

About ethyl 2-naphthalen-2-ylsulfonylacetate

ethyl 2-naphthalen-2-ylsulfonylacetate (PubChem CID 975989) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-naphthalen-2-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-naphthalen-2-ylsulfonylacetate
PubChem CID975989
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Nameethyl 2-naphthalen-2-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O4S/c1-2-18-14(15)10-19(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
InChIKeyYBDBZISKURRTLA-UHFFFAOYSA-N
XLogP2.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Naphthylthio)propionic acid
CID 517992
Acetic acid, 2-(2-naphthalenylthio)-
CID 66728
3-[(3,4-Dimethylphenyl)sulfonyl]propanoic acid
CID 776555
Methyl (4-methylbenzene-1-sulfonyl)acetate
CID 39660
3-(Naphthalene-2-sulfonyl)propanoic acid
CID 684362
3-(2-naphthylsulfonyl)dihydro-2(3H)-furanone
CID 667162
(2E)-3-(naphthalen-2-ylsulfonyl)prop-2-enoic acid
CID 797551
2-(Ethenesulfonyl)naphthalene
CID 305562
Ethyl 2-(4-phenylphenyl)sulfonylacetate
CID 13628775
2-(4-Naphthalen-1-ylphenyl)sulfonylacetic acid
CID 515142
2-(2-Naphthylsulfonyl)acetic acid
CID 515138
Acetic acid, (p-tolylsulfonyl)-, ethyl ester
CID 76102

Frequently Asked Questions

What is the IUPAC name of ethyl 2-naphthalen-2-ylsulfonylacetate?
The IUPAC name of ethyl 2-naphthalen-2-ylsulfonylacetate (CID 975989) is ethyl 2-naphthalen-2-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-naphthalen-2-ylsulfonylacetate?
The canonical SMILES for ethyl 2-naphthalen-2-ylsulfonylacetate is CCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-naphthalen-2-ylsulfonylacetate?
The InChIKey is YBDBZISKURRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-2-18-14(15)10-19(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-naphthalen-2-ylsulfonylacetate?
ethyl 2-naphthalen-2-ylsulfonylacetate has a molecular weight of 278.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-naphthalen-2-ylsulfonylacetate is sourced from PubChem (CID 975989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).