2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole

C15H12N3O3S- — CID 91120998

IUPAC2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(NS(=O)[O-])cc1
InChIInChI=1S/C15H13N3O3S/c19-15-13(12-3-1-2-4-14(12)17-15)9-16-10-5-7-11(8-6-10)18-22(20)21/h1-9,13,18H,(H,17,19)(H,20,21)/p-1/b16-9+
InChIKeyCGKHTZSLTUEODA-CXUHLZMHSA-M
MW314.35 g/mol
LogP2.33
Rot. Bonds4

About 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole

2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole (PubChem CID 91120998) has the molecular formula C15H12N3O3S- and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole.

Molecular Properties

Compound Name2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
PubChem CID91120998
Molecular FormulaC15H12N3O3S-
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole
SMILESO=C1Nc2ccccc2C1/C=N/c1ccc(NS(=O)[O-])cc1
InChIInChI=1S/C15H13N3O3S/c19-15-13(12-3-1-2-4-14(12)17-15)9-16-10-5-7-11(8-6-10)18-22(20)21/h1-9,13,18H,(H,17,19)(H,20,21)/p-1/b16-9+
InChIKeyCGKHTZSLTUEODA-CXUHLZMHSA-M
XLogP2.33
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole?
The IUPAC name of 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole (CID 91120998) is 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole.
What is the SMILES notation for 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole?
The canonical SMILES for 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole is O=C1Nc2ccccc2C1/C=N/c1ccc(NS(=O)[O-])cc1.
What is the InChIKey of 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole?
The InChIKey is CGKHTZSLTUEODA-CXUHLZMHSA-M. The full InChI is InChI=1S/C15H13N3O3S/c19-15-13(12-3-1-2-4-14(12)17-15)9-16-10-5-7-11(8-6-10)18-22(20)21/h1-9,13,18H,(H,17,19)(H,20,21)/p-1/b16-9+.
What are the key properties of 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole?
2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole has a molecular weight of 314.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[[4-(sulfinatoamino)phenyl]iminomethyl]-1,3-dihydroindole is sourced from PubChem (CID 91120998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).