ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate

C14H13ClO5S — CID 25158140

IUPACethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C14H13ClO5S/c1-2-19-14(16)9-20-12-5-3-11-8-13(21(15,17)18)6-4-10(11)7-12/h3-8H,2,9H2,1H3
InChIKeyBEGUZWVKECXZNV-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.71
Rot. Bonds5

About ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate

ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate (PubChem CID 25158140) has the molecular formula C14H13ClO5S and a molecular weight of 328.77 g/mol. Its IUPAC name is ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
PubChem CID25158140
Molecular FormulaC14H13ClO5S
Molecular Weight328.77 g/mol
Exact Mass328.02
IUPAC Nameethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2cc(S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C14H13ClO5S/c1-2-19-14(16)9-20-12-5-3-11-8-13(21(15,17)18)6-4-10(11)7-12/h3-8H,2,9H2,1H3
InChIKeyBEGUZWVKECXZNV-UHFFFAOYSA-N
XLogP2.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
CID 71378315
6-pentoxynaphthalene-2-sulfonyl chloride
CID 25158139
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
ethyl 2-[6-(cyanomethyl)naphthalen-2-yl]oxyacetate
CID 170886250
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 10447326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate?
The IUPAC name of ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate (CID 25158140) is ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate?
The canonical SMILES for ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate is CCOC(=O)COc1ccc2cc(S(=O)(=O)Cl)ccc2c1.
What is the InChIKey of ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate?
The InChIKey is BEGUZWVKECXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO5S/c1-2-19-14(16)9-20-12-5-3-11-8-13(21(15,17)18)6-4-10(11)7-12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate?
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate has a molecular weight of 328.77 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 25158140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).