N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

C24H23N5O6S — CID 135434991

IUPACN-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,27,31H,13H2,1-2H3,(H,26,30)(H2,25,32,33)/b29-28+
InChIKeyVNIUBQSCSHUUAR-ZQHSETAFSA-N
MW509.54 g/mol
LogP3.88
Rot. Bonds8

About N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (PubChem CID 135434991) has the molecular formula C24H23N5O6S and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
PubChem CID135434991
Molecular FormulaC24H23N5O6S
Molecular Weight509.54 g/mol
Exact Mass509.14
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,27,31H,13H2,1-2H3,(H,26,30)(H2,25,32,33)/b29-28+
InChIKeyVNIUBQSCSHUUAR-ZQHSETAFSA-N
XLogP3.88
TPSA168.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 56
CID 135434986
2-oxo-N-(pyridin-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)hydrazinyl]indole-5-carboxamide
CID 135434989
Oxindole-Based Inhibitor 62
CID 135434990
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-sulfamoylbenzamide
CID 145983899
N-[2-hydroxy-1-(4-methoxybenzoyl)indol-3-yl]imino-2-(4-sulfamoylanilino)acetamide
CID 168275414
2-hydroxy-3-[[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]diazenyl]-1H-indole-5-carboxamide
CID 136203706
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2570961
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 3894812
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135982554
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-4-(methanesulfonamido)benzamide
CID 165430371

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (CID 135434991) is N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is COc1cccc(OC)c1CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The InChIKey is VNIUBQSCSHUUAR-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,27,31H,13H2,1-2H3,(H,26,30)(H2,25,32,33)/b29-28+.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 135434991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).