methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate

C17H15N3O5S — CID 57108310

IUPACmethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)/b19-9+
InChIKeyATRHQBQEZHPYKB-DJKKODMXSA-N
MW373.39 g/mol
LogP1.56
Rot. Bonds4

About methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate

methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate (PubChem CID 57108310) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate
PubChem CID57108310
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Namemethyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2
InChIInChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)/b19-9+
InChIKeyATRHQBQEZHPYKB-DJKKODMXSA-N
XLogP1.56
TPSA127.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.56
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
ethyl (3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methylidene}-2,3-dihydro-1H-indole-4-carboxylate
CID 57282743
Ethyl 4-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)benzoate
CID 15990560
NadD inhibitor 15_11
CID 91808129
3-{[4-(Aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 91895634
4-({[5-(3-Methylbutanoyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}amino)benzenesulfonamide
CID 91895635
methyl 4-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)benzoate
CID 1084167
Butyl 4-[1-(benzenesulfonyl)-2,3-dihydro-1H-indole-5-amido]benzoate
CID 16014573
Methyl 4-[4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]benzoate
CID 44825302
Methyl 4-[1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-amido]benzoate
CID 16016029
Ethyl 4-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamido}benzoate
CID 7526497
Butyl 4-(1-methanesulfonyl-2,3-dihydro-1H-indole-5-amido)benzoate
CID 16014474

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate (CID 57108310) is methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)C(/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2.
What is the InChIKey of methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate?
The InChIKey is ATRHQBQEZHPYKB-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)/b19-9+.
What are the key properties of methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate?
methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate has a molecular weight of 373.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 57108310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).