3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide

C21H19N3O5S — CID 15944572

IUPAC3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(C(N)=O)ccc4OC)ccc1c23
InChIInChI=1S/C21H19N3O5S/c1-3-24-16-8-10-18(13-5-4-6-14(19(13)16)21(24)26)30(27,28)23-15-11-12(20(22)25)7-9-17(15)29-2/h4-11,23H,3H2,1-2H3,(H2,22,25)
InChIKeyHIYKOSPYIHGYLI-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.73
Rot. Bonds6

About 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide

3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide (PubChem CID 15944572) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
PubChem CID15944572
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(C(N)=O)ccc4OC)ccc1c23
InChIInChI=1S/C21H19N3O5S/c1-3-24-16-8-10-18(13-5-4-6-14(19(13)16)21(24)26)30(27,28)23-15-11-12(20(22)25)7-9-17(15)29-2/h4-11,23H,3H2,1-2H3,(H2,22,25)
InChIKeyHIYKOSPYIHGYLI-UHFFFAOYSA-N
XLogP2.73
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
CID 118197299
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-methylsulfonylbenzenesulfonamide
CID 134164682
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide (CID 15944572) is 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(C(N)=O)ccc4OC)ccc1c23.
What is the InChIKey of 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide?
The InChIKey is HIYKOSPYIHGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-3-24-16-8-10-18(13-5-4-6-14(19(13)16)21(24)26)30(27,28)23-15-11-12(20(22)25)7-9-17(15)29-2/h4-11,23H,3H2,1-2H3,(H2,22,25).
What are the key properties of 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide?
3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide has a molecular weight of 425.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide is sourced from PubChem (CID 15944572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).