1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide

C20H16N4O3S — CID 59072862

IUPAC1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide
SMILESNOOSc1ccc(-n2nc(C(N)=O)c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C20H16N4O3S/c21-20(25)19-17-11-6-14(13-4-2-1-3-5-13)12-18(17)24(23-19)15-7-9-16(10-8-15)28-27-26-22/h1-12H,22H2,(H2,21,25)
InChIKeySBVJCICLEFQVIG-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide

1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide (PubChem CID 59072862) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide
PubChem CID59072862
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide
SMILESNOOSc1ccc(-n2nc(C(N)=O)c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C20H16N4O3S/c21-20(25)19-17-11-6-14(13-4-2-1-3-5-13)12-18(17)24(23-19)15-7-9-16(10-8-15)28-27-26-22/h1-12H,22H2,(H2,21,25)
InChIKeySBVJCICLEFQVIG-UHFFFAOYSA-N
XLogP3.62
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminoperoxysulfanylphenyl)-6-(3-methylphenyl)indazole-3-carboxamide
CID 59072837
1-(4-aminoperoxysulfanylphenyl)-6-(4-methoxyphenyl)indazole-3-carboxamide
CID 59072858
1-(4-aminoperoxysulfanylphenyl)-6-(2-hydroxyphenyl)indazole-3-carboxamide;1-bromo-2-methylbenzene;2-bromophenol
CID 158044186
6-(3-hydroxyphenyl)-1-(4-sulfamoylphenyl)indazole-3-carboxamide
CID 10158357
tert-butyl N-[1-(4-aminoperoxysulfanylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]carbamate
CID 58833200
4-hydroxy-6-phenylisoquinoline-3-carboxamide
CID 69329318
1-fluoroindazole-3-carboxamide
CID 68893080
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175811196
5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
1,6-diphenylbenzotriazole
CID 162716973
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide?
The IUPAC name of 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide (CID 59072862) is 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide is NOOSc1ccc(-n2nc(C(N)=O)c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide?
The InChIKey is SBVJCICLEFQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-20(25)19-17-11-6-14(13-4-2-1-3-5-13)12-18(17)24(23-19)15-7-9-16(10-8-15)28-27-26-22/h1-12H,22H2,(H2,21,25).
What are the key properties of 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide?
1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoperoxysulfanylphenyl)-6-phenylindazole-3-carboxamide is sourced from PubChem (CID 59072862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).