ethyl 2-(naphthalen-2-ylsulfonylamino)acetate

C14H15NO4S — CID 14030404

IUPACethyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-2-19-14(16)10-15-20(17,18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3
InChIKeyCFXNFADHAFYZPL-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-(naphthalen-2-ylsulfonylamino)acetate

ethyl 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 14030404) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID14030404
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO4S/c1-2-19-14(16)10-15-20(17,18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3
InChIKeyCFXNFADHAFYZPL-UHFFFAOYSA-N
XLogP1.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(naphthalen-2-ylsulfonylamino)acetate (CID 14030404) is ethyl 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(naphthalen-2-ylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is CFXNFADHAFYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-2-19-14(16)10-15-20(17,18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 2-(naphthalen-2-ylsulfonylamino)acetate?
ethyl 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 293.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 14030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).