3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C19H17N3O3S — CID 67114937

IUPAC3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCCn1cc(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21
InChIInChI=1S/C19H17N3O3S/c1-2-22-11-12(14-5-3-4-6-18(14)22)9-16-15-10-13(26(20,24)25)7-8-17(15)21-19(16)23/h3-11H,2H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyQUFKPPULNDYOPK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.80
Rot. Bonds3

About 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 67114937) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID67114937
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCCn1cc(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21
InChIInChI=1S/C19H17N3O3S/c1-2-22-11-12(14-5-3-4-6-18(14)22)9-16-15-10-13(26(20,24)25)7-8-17(15)21-19(16)23/h3-11H,2H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyQUFKPPULNDYOPK-UHFFFAOYSA-N
XLogP2.80
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-oxo-3-[(2-prop-2-enoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 60512344
3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3958106
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468993
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3276576
(5E)-1-(4-chlorophenyl)-5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363624
5-[(1-ethylindol-3-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
CID 3831481
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 162786971
(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6106896
3-[(3-ethylazulen-1-yl)methylidene]-2-oxo-1H-indole-5-sulfonic acid
CID 87504991
(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 143304674
1-(2,4-dimethylphenyl)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71966953

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 67114937) is 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is CCn1cc(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21.
What is the InChIKey of 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is QUFKPPULNDYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-22-11-12(14-5-3-4-6-18(14)22)9-16-15-10-13(26(20,24)25)7-8-17(15)21-19(16)23/h3-11H,2H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 67114937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).