ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate

C21H24N2O5S — CID 1192824

IUPACethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)CC1
InChIInChI=1S/C21H24N2O5S/c1-3-23-17-8-9-18(15-6-5-7-16(19(15)17)20(23)24)29(26,27)22-12-10-14(11-13-22)21(25)28-4-2/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyFHGWNERTEPXBNV-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.78
Rot. Bonds5

About ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate

ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 1192824) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate
PubChem CID1192824
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Nameethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)CC1
InChIInChI=1S/C21H24N2O5S/c1-3-23-17-8-9-18(15-6-5-7-16(19(15)17)20(23)24)29(26,27)22-12-10-14(11-13-22)21(25)28-4-2/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyFHGWNERTEPXBNV-UHFFFAOYSA-N
XLogP2.78
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
4-(4-Benzoylamino-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 10367938
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-acetic acid
CID 1103357
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534872
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
1-({[(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)sulfonyl]amino}methyl)cyclopentanecarboxylic Acid
CID 105539836
N,N,1-trimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094897
1-Methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid phenethyl-amide
CID 1094909
Ethyl 4-[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]-1-piperazinecarboxylate
CID 2133616

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate (CID 1192824) is ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)CC1.
What is the InChIKey of ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FHGWNERTEPXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-3-23-17-8-9-18(15-6-5-7-16(19(15)17)20(23)24)29(26,27)22-12-10-14(11-13-22)21(25)28-4-2/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 416.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 1192824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).