2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid

C16H13N3O5S — CID 91895634

IUPAC2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(C(=O)O)cc32)cc1
InChIInChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)/b18-8+
InChIKeyINARUEPBQUQQMJ-QGMBQPNBSA-N
MW359.36 g/mol
LogP1.47
Rot. Bonds4

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

2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid (PubChem CID 91895634) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid
PubChem CID91895634
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid
SMILESNS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(C(=O)O)cc32)cc1
InChIInChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)/b18-8+
InChIKeyINARUEPBQUQQMJ-QGMBQPNBSA-N
XLogP1.47
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid (CID 91895634) is 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid is NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccc(C(=O)O)cc32)cc1.
What is the InChIKey of 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid?
The InChIKey is INARUEPBQUQQMJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)/b18-8+.
What are the key properties of 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid?
2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[(4-sulfamoylphenyl)iminomethyl]-1,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 91895634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).