2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid

C14H12N4O6S2 — CID 135434985

IUPAC2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)cc1
InChIInChI=1S/C14H12N4O6S2/c15-25(20,21)9-3-1-8(2-4-9)17-18-13-11-7-10(26(22,23)24)5-6-12(11)16-14(13)19/h1-7,16,19H,(H2,15,20,21)(H,22,23,24)/b18-17+
InChIKeyKZQIFEGNIUKQLQ-ISLYRVAYSA-N
MW396.41 g/mol
LogP2.18
Rot. Bonds4

About 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid

2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid (PubChem CID 135434985) has the molecular formula C14H12N4O6S2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid
PubChem CID135434985
Molecular FormulaC14H12N4O6S2
Molecular Weight396.41 g/mol
Exact Mass396.02
IUPAC Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)cc1
InChIInChI=1S/C14H12N4O6S2/c15-25(20,21)9-3-1-8(2-4-9)17-18-13-11-7-10(26(22,23)24)5-6-12(11)16-14(13)19/h1-7,16,19H,(H2,15,20,21)(H,22,23,24)/b18-17+
InChIKeyKZQIFEGNIUKQLQ-ISLYRVAYSA-N
XLogP2.18
TPSA175.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.18
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
CID 4477128
3-((4-((amino(imino)methyl)aminosulfonyl)anilino)methylene)-2-oxo-2,3-dihydro-1H-indole
CID 4477132
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Cdk2 Inhibitor II
CID 3551941
Oxindole-Based Inhibitor 44
CID 135405216
Oxindole-Based Inhibitor 29
CID 135409809
N-[2-(Dimethylamino)ethyl]-4-{[(Z)-(2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene)methyl]amino}benzenesulfonamide
CID 135421157
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 20
CID 135434965
Oxindole-Based Inhibitor 26
CID 135434967
Oxindole-Based Inhibitor 28
CID 135434969
Oxindole-Based Inhibitor 33
CID 135434973

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid?
The IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid (CID 135434985) is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid?
The canonical SMILES for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid?
The InChIKey is KZQIFEGNIUKQLQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12N4O6S2/c15-25(20,21)9-3-1-8(2-4-9)17-18-13-11-7-10(26(22,23)24)5-6-12(11)16-14(13)19/h1-7,16,19H,(H2,15,20,21)(H,22,23,24)/b18-17+.
What are the key properties of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid?
2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid has a molecular weight of 396.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonic acid is sourced from PubChem (CID 135434985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).