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

C20H23N5O5S — CID 135434990

IUPAC2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,23,26,28H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)/b25-24+
InChIKeyZPPIIWDAWGGQAA-OCOZRVBESA-N
MW445.50 g/mol
LogP2.68
Rot. Bonds7

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

2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (PubChem CID 135434990) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
PubChem CID135434990
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Name2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,23,26,28H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)/b25-24+
InChIKeyZPPIIWDAWGGQAA-OCOZRVBESA-N
XLogP2.68
TPSA170.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.68
H-Bond Donors ≤ 55
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 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
2-oxo-N-(pyridin-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)hydrazinyl]indole-5-carboxamide
CID 135434989
Oxindole-Based Inhibitor 63
CID 135434991
(Z)-3-(2-(5-(N-(4-Fluorobenzyl)sulfamoyl)-2-oxoindolin-3-ylidene)hydrazinyl)benzoic Acid
CID 135924028
Oxindole-Based Inhibitor 40
CID 135423008
3-{2-[(3Z)-5-{[(4-methylphenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid
CID 135924011
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-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (CID 135434990) is 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is CC(C)(CO)CNC(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The InChIKey is ZPPIIWDAWGGQAA-OCOZRVBESA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,23,26,28H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)/b25-24+.
What are the key properties of 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 135434990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).