ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate

C14H17NO4S — CID 83984817

IUPACethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccc(S(=O)(=O)CC)cc12
InChIInChI=1S/C14H17NO4S/c1-3-19-14(16)7-10-9-15-13-6-5-11(8-12(10)13)20(17,18)4-2/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyKERGRABIUOMCAY-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.07
Rot. Bonds5

About ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate

ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate (PubChem CID 83984817) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
PubChem CID83984817
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Nameethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccc(S(=O)(=O)CC)cc12
InChIInChI=1S/C14H17NO4S/c1-3-19-14(16)7-10-9-15-13-6-5-11(8-12(10)13)20(17,18)4-2/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyKERGRABIUOMCAY-UHFFFAOYSA-N
XLogP2.07
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984816
1-(5-ethylsulfonyl-1H-indol-3-yl)-3-methylbutan-2-amine
CID 83984848
methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
CID 137332505
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984815
ethyl 2-[6-(trideuteriomethoxy)-1H-indol-3-yl]acetate
CID 168930983
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
CID 137332496
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate (CID 83984817) is ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2ccc(S(=O)(=O)CC)cc12.
What is the InChIKey of ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The InChIKey is KERGRABIUOMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-19-14(16)7-10-9-15-13-6-5-11(8-12(10)13)20(17,18)4-2/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate has a molecular weight of 295.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 83984817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).