ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate

C19H22N2O5S — CID 8520369

IUPACethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)c2cccc3c(S(=O)(=O)N(CC)CC)ccc1c23
InChIInChI=1S/C19H22N2O5S/c1-4-20(5-2)27(24,25)16-11-10-15-18-13(16)8-7-9-14(18)19(23)21(15)12-17(22)26-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyOIDLWLQPPCLREF-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.39
Rot. Bonds7

About ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate

ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (PubChem CID 8520369) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
PubChem CID8520369
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)c2cccc3c(S(=O)(=O)N(CC)CC)ccc1c23
InChIInChI=1S/C19H22N2O5S/c1-4-20(5-2)27(24,25)16-11-10-15-18-13(16)8-7-9-14(18)19(23)21(15)12-17(22)26-6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyOIDLWLQPPCLREF-UHFFFAOYSA-N
XLogP2.39
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (CID 8520369) is ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is CCOC(=O)CN1C(=O)c2cccc3c(S(=O)(=O)N(CC)CC)ccc1c23.
What is the InChIKey of ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The InChIKey is OIDLWLQPPCLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-20(5-2)27(24,25)16-11-10-15-18-13(16)8-7-9-14(18)19(23)21(15)12-17(22)26-6-3/h7-11H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate has a molecular weight of 390.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is sourced from PubChem (CID 8520369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).