1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one

C20H17NO3S — CID 22759572

IUPAC1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c3cccc1c23
InChIInChI=1S/C20H17NO3S/c1-3-21-17-6-4-5-15-18(12-11-16(19(15)17)20(21)22)25(23,24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3
InChIKeyQVCZZVUVKIUPDI-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.96
Rot. Bonds3

About 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one

1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one (PubChem CID 22759572) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one
PubChem CID22759572
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c3cccc1c23
InChIInChI=1S/C20H17NO3S/c1-3-21-17-6-4-5-15-18(12-11-16(19(15)17)20(21)22)25(23,24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3
InChIKeyQVCZZVUVKIUPDI-UHFFFAOYSA-N
XLogP3.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
CID 781532
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
6-tert-butyl-1-ethylbenzo[cd]indol-2-one
CID 71263524
5-(4-methylphenyl)sulfonyl-1H-benzo[cd]indol-2-one
CID 22759555
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
1-ethyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzo[cd]indol-2-one
CID 3388445
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-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide
CID 3609602

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one?
The IUPAC name of 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one (CID 22759572) is 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one?
The canonical SMILES for 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one is CCN1C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c3cccc1c23.
What is the InChIKey of 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one?
The InChIKey is QVCZZVUVKIUPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-3-21-17-6-4-5-15-18(12-11-16(19(15)17)20(21)22)25(23,24)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one?
1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one has a molecular weight of 351.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methylphenyl)sulfonylbenzo[cd]indol-2-one is sourced from PubChem (CID 22759572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).