4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C20H16N4O4S — CID 135434972

IUPAC4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C20H16N4O4S/c21-29(26,27)15-11-9-13(10-12-15)23-24-19-18-16(22-20(19)25)7-4-8-17(18)28-14-5-2-1-3-6-14/h1-12,22,25H,(H2,21,26,27)/b24-23+
InChIKeyZPLZSKVVFXBZBN-WCWDXBQESA-N
MW408.44 g/mol
LogP4.73
Rot. Bonds5

About 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434972) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434972
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C20H16N4O4S/c21-29(26,27)15-11-9-13(10-12-15)23-24-19-18-16(22-20(19)25)7-4-8-17(18)28-14-5-2-1-3-6-14/h1-12,22,25H,(H2,21,26,27)/b24-23+
InChIKeyZPLZSKVVFXBZBN-WCWDXBQESA-N
XLogP4.73
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 44
CID 135405216
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 30
CID 135434970
Oxindole-Based Inhibitor 31
CID 135434971
Oxindole-Based Inhibitor 35
CID 135434975
Oxindole-Based Inhibitor 45
CID 135434980
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982
Oxindole-Based Inhibitor 50
CID 135434984
Glycine, N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103817
Oxindole-Based Inhibitor 69
CID 135434996
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 135399794
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 135446053

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434972) is 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(Oc4ccccc4)c23)cc1.
What is the InChIKey of 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is ZPLZSKVVFXBZBN-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O4S/c21-29(26,27)15-11-9-13(10-12-15)23-24-19-18-16(22-20(19)25)7-4-8-17(18)28-14-5-2-1-3-6-14/h1-12,22,25H,(H2,21,26,27)/b24-23+.
What are the key properties of 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).