1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one

C17H19N3O3S — CID 741724

IUPAC1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N4CCNCC4)ccc1c23
InChIInChI=1S/C17H19N3O3S/c1-2-20-14-6-7-15(24(22,23)19-10-8-18-9-11-19)12-4-3-5-13(16(12)14)17(20)21/h3-7,18H,2,8-11H2,1H3
InChIKeyWYFBHGQNVQPGGT-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.41
Rot. Bonds3

About 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one

1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one (PubChem CID 741724) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one
PubChem CID741724
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N4CCNCC4)ccc1c23
InChIInChI=1S/C17H19N3O3S/c1-2-20-14-6-7-15(24(22,23)19-10-8-18-9-11-19)12-4-3-5-13(16(12)14)17(20)21/h3-7,18H,2,8-11H2,1H3
InChIKeyWYFBHGQNVQPGGT-UHFFFAOYSA-N
XLogP1.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one?
The IUPAC name of 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one (CID 741724) is 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one?
The canonical SMILES for 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one is CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCNCC4)ccc1c23.
What is the InChIKey of 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one?
The InChIKey is WYFBHGQNVQPGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-20-14-6-7-15(24(22,23)19-10-8-18-9-11-19)12-4-3-5-13(16(12)14)17(20)21/h3-7,18H,2,8-11H2,1H3.
What are the key properties of 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one?
1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one has a molecular weight of 345.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one is sourced from PubChem (CID 741724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).