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

C17H19N3O4S — CID 8520373

IUPAC2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(N)=O
InChIInChI=1S/C17H19N3O4S/c1-3-19(4-2)25(23,24)14-9-8-13-16-11(14)6-5-7-12(16)17(22)20(13)10-15(18)21/h5-9H,3-4,10H2,1-2H3,(H2,18,21)
InChIKeyPNYRYFQNBMPKGM-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.32
Rot. Bonds6

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

2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide (PubChem CID 8520373) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide
PubChem CID8520373
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(N)=O
InChIInChI=1S/C17H19N3O4S/c1-3-19(4-2)25(23,24)14-9-8-13-16-11(14)6-5-7-12(16)17(22)20(13)10-15(18)21/h5-9H,3-4,10H2,1-2H3,(H2,18,21)
InChIKeyPNYRYFQNBMPKGM-UHFFFAOYSA-N
XLogP1.32
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide
CID 8520374
butyl 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetate
CID 8520403
2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 8520385
N,N-diethyl-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)benzo[cd]indole-6-sulfonamide
CID 9193227
N,N-diethyl-1-(2-methylpropanoyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 7424828
2-[ethyl-(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 15944582
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
1-ethyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzo[cd]indol-2-one
CID 3388445
1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
CID 781532
ethyl 2-(6-bromo-2-oxobenzo[cd]indol-1-yl)acetate
CID 13084261
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide (CID 8520373) is 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(N)=O.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide?
The InChIKey is PNYRYFQNBMPKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-19(4-2)25(23,24)14-9-8-13-16-11(14)6-5-7-12(16)17(22)20(13)10-15(18)21/h5-9H,3-4,10H2,1-2H3,(H2,18,21).
What are the key properties of 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide?
2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-2-oxobenzo[cd]indol-1-yl]acetamide is sourced from PubChem (CID 8520373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).