ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate

C18H17N3O5S — CID 57282743

IUPACethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate
SMILESCCOC(=O)c1cccc2c1C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C18H17N3O5S/c1-2-26-18(23)13-4-3-5-15-16(13)14(17(22)21-15)10-20-11-6-8-12(9-7-11)27(19,24)25/h3-10,14H,2H2,1H3,(H,21,22)(H2,19,24,25)/b20-10+
InChIKeyCEMOAZMENLYUBW-KEBDBYFISA-N
MW387.42 g/mol
LogP1.95
Rot. Bonds5

About ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate

ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate (PubChem CID 57282743) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate
PubChem CID57282743
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Nameethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate
SMILESCCOC(=O)c1cccc2c1C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C18H17N3O5S/c1-2-26-18(23)13-4-3-5-15-16(13)14(17(22)21-15)10-20-11-6-8-12(9-7-11)27(19,24)25/h3-10,14H,2H2,1H3,(H,21,22)(H2,19,24,25)/b20-10+
InChIKeyCEMOAZMENLYUBW-KEBDBYFISA-N
XLogP1.95
TPSA127.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Isobutyl 3-{[4-(aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole-5-carboxylate
CID 57048118
methyl (3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methylidene}-2,3-dihydro-1H-indole-5-carboxylate
CID 57108310
4-({[4-(Hydroxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}amino)benzenesulfonamide
CID 91895632
3-{[4-(Aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 91895634
1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
CID 648497
ethyl 3-({N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]valyl}amino)benzoate
CID 3237532
ethyl 3-({N-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-beta-alanyl}amino)benzoate
CID 3244011
N-(4-{[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]sulfonyl}phenyl)acetamide
CID 1204991
Methyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-2-methylbenzoate
CID 1290039
US8987474, Rpm347
CID 59762903
Ethyl 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzoate
CID 15997786
Methyl 1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-4-carboxylate
CID 100943904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate (CID 57282743) is ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate is CCOC(=O)c1cccc2c1C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2.
What is the InChIKey of ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate?
The InChIKey is CEMOAZMENLYUBW-KEBDBYFISA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-2-26-18(23)13-4-3-5-15-16(13)14(17(22)21-15)10-20-11-6-8-12(9-7-11)27(19,24)25/h3-10,14H,2H2,1H3,(H,21,22)(H2,19,24,25)/b20-10+.
What are the key properties of ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate?
ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-4-carboxylate is sourced from PubChem (CID 57282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).