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

C18H20N2O3S — CID 781532

IUPAC1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23
InChIInChI=1S/C18H20N2O3S/c1-2-20-15-9-10-16(24(22,23)19-11-4-3-5-12-19)13-7-6-8-14(17(13)15)18(20)21/h6-10H,2-5,11-12H2,1H3
InChIKeyYXQZBKPKJAJEST-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.99
Rot. Bonds3

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

1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one (PubChem CID 781532) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
PubChem CID781532
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23
InChIInChI=1S/C18H20N2O3S/c1-2-20-15-9-10-16(24(22,23)19-11-4-3-5-12-19)13-7-6-8-14(17(13)15)18(20)21/h6-10H,2-5,11-12H2,1H3
InChIKeyYXQZBKPKJAJEST-UHFFFAOYSA-N
XLogP2.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzo[cd]indol-2-one
CID 3388445
ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-3-carboxylate
CID 3262513
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one
CID 22759572
6-tert-butyl-1-ethylbenzo[cd]indol-2-one
CID 71263524
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
CID 127033770
1-ethyl-5-(2-methylphenyl)sulfonylbenzo[cd]indol-2-one
CID 22759548
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The IUPAC name of 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one (CID 781532) is 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The canonical SMILES for 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one is CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23.
What is the InChIKey of 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The InChIKey is YXQZBKPKJAJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-20-15-9-10-16(24(22,23)19-11-4-3-5-12-19)13-7-6-8-14(17(13)15)18(20)21/h6-10H,2-5,11-12H2,1H3.
What are the key properties of 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one is sourced from PubChem (CID 781532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).