2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

C21H18N6O4S — CID 135434989

IUPAC2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(C(=O)NCc4ccncc4)cc23)cc1
InChIInChI=1S/C21H18N6O4S/c22-32(30,31)16-4-2-15(3-5-16)26-27-19-17-11-14(1-6-18(17)25-21(19)29)20(28)24-12-13-7-9-23-10-8-13/h1-11,25,29H,12H2,(H,24,28)(H2,22,30,31)/b27-26+
InChIKeyIXZMFISRHHRXRQ-CYYJNZCTSA-N
MW450.48 g/mol
LogP3.26
Rot. Bonds6

About 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (PubChem CID 135434989) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
PubChem CID135434989
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC Name2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(C(=O)NCc4ccncc4)cc23)cc1
InChIInChI=1S/C21H18N6O4S/c22-32(30,31)16-4-2-15(3-5-16)26-27-19-17-11-14(1-6-18(17)25-21(19)29)20(28)24-12-13-7-9-23-10-8-13/h1-11,25,29H,12H2,(H,24,28)(H2,22,30,31)/b27-26+
InChIKeyIXZMFISRHHRXRQ-CYYJNZCTSA-N
XLogP3.26
TPSA162.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Oxindole-Based Inhibitor 57
CID 135404113
Oxindole-Based Inhibitor 61
CID 135405282
Oxindole-Based Inhibitor 22
CID 135418490
Oxindole-Based Inhibitor 33
CID 135434973
Oxindole-Based Inhibitor 56
CID 135434986
(3z)-N-[2-(1h-Imidazol-4-Yl)ethyl]-2-Oxo-3-[2-(4-Sulfamoylphenyl)hydrazinylidene]-2,3-Dihydro-1h-Indole-5-Carboxamide
CID 135434987
Oxindole-Based Inhibitor 59
CID 135434988
Oxindole-Based Inhibitor 62
CID 135434990
Oxindole-Based Inhibitor 63
CID 135434991
Oxindole-Based Inhibitor 40
CID 135423008
4-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid
CID 135924017
3-[N'-(5-Isopropylsulfamoyl-2-oxo-1,2-dihydro-indol-3-ylidene)hydrazino]benzoic acid
CID 135924024

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (CID 135434989) is 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(C(=O)NCc4ccncc4)cc23)cc1.
What is the InChIKey of 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The InChIKey is IXZMFISRHHRXRQ-CYYJNZCTSA-N. The full InChI is InChI=1S/C21H18N6O4S/c22-32(30,31)16-4-2-15(3-5-16)26-27-19-17-11-14(1-6-18(17)25-21(19)29)20(28)24-12-13-7-9-23-10-8-13/h1-11,25,29H,12H2,(H,24,28)(H2,22,30,31)/b27-26+.
What are the key properties of 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(pyridin-4-ylmethyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 135434989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).