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

C18H20N2O5S — CID 8520376

IUPACmethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC
InChIInChI=1S/C18H20N2O5S/c1-4-19(5-2)26(23,24)15-10-9-14-17-12(15)7-6-8-13(17)18(22)20(14)11-16(21)25-3/h6-10H,4-5,11H2,1-3H3
InChIKeyGTXSZEFHJLOFBU-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.00
Rot. Bonds6

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

methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (PubChem CID 8520376) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
PubChem CID8520376
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC
InChIInChI=1S/C18H20N2O5S/c1-4-19(5-2)26(23,24)15-10-9-14-17-12(15)7-6-8-13(17)18(22)20(14)11-16(21)25-3/h6-10H,4-5,11H2,1-3H3
InChIKeyGTXSZEFHJLOFBU-UHFFFAOYSA-N
XLogP2.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The IUPAC name of methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate (CID 8520376) is methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(=O)OC.
What is the InChIKey of methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
The InChIKey is GTXSZEFHJLOFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-19(5-2)26(23,24)15-10-9-14-17-12(15)7-6-8-13(17)18(22)20(14)11-16(21)25-3/h6-10H,4-5,11H2,1-3H3.
What are the key properties of methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate?
methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate has a molecular weight of 376.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate is sourced from PubChem (CID 8520376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).