4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C20H16N4O4S — CID 135434996

IUPAC4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Oc4ccccc4)ccc23)cc1
InChIInChI=1S/C20H16N4O4S/c21-29(26,27)16-9-6-13(7-10-16)23-24-19-17-11-8-15(12-18(17)22-20(19)25)28-14-4-2-1-3-5-14/h1-12,22,25H,(H2,21,26,27)/b24-23+
InChIKeyDTWRJWUXSVTHDP-WCWDXBQESA-N
MW408.44 g/mol
LogP4.73
Rot. Bonds5

About 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434996) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434996
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Oc4ccccc4)ccc23)cc1
InChIInChI=1S/C20H16N4O4S/c21-29(26,27)16-9-6-13(7-10-16)23-24-19-17-11-8-15(12-18(17)22-20(19)25)28-14-4-2-1-3-5-14/h1-12,22,25H,(H2,21,26,27)/b24-23+
InChIKeyDTWRJWUXSVTHDP-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434996) is 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Oc4ccccc4)ccc23)cc1.
What is the InChIKey of 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is DTWRJWUXSVTHDP-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O4S/c21-29(26,27)16-9-6-13(7-10-16)23-24-19-17-11-8-15(12-18(17)22-20(19)25)28-14-4-2-1-3-5-14/h1-12,22,25H,(H2,21,26,27)/b24-23+.
What are the key properties of 4-[(2-hydroxy-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-6-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-6-phenoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).