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

C22H20N4O4S — CID 135434975

IUPAC4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccc(O)cc4)c23)cc1
InChIInChI=1S/C22H20N4O4S/c23-31(29,30)18-12-8-16(9-13-18)25-26-21-20-15(2-1-3-19(20)24-22(21)28)7-4-14-5-10-17(27)11-6-14/h1-3,5-6,8-13,24,27-28H,4,7H2,(H2,23,29,30)/b26-25+
InChIKeyPVWYDIXRBUUPQE-OCEACIFDSA-N
MW436.49 g/mol
LogP4.43
Rot. Bonds6

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

4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135434975) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135434975
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccc(O)cc4)c23)cc1
InChIInChI=1S/C22H20N4O4S/c23-31(29,30)18-12-8-16(9-13-18)25-26-21-20-15(2-1-3-19(20)24-22(21)28)7-4-14-5-10-17(27)11-6-14/h1-3,5-6,8-13,24,27-28H,4,7H2,(H2,23,29,30)/b26-25+
InChIKeyPVWYDIXRBUUPQE-OCEACIFDSA-N
XLogP4.43
TPSA141.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.43
H-Bond Donors ≤ 54
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-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135434975) is 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccc(O)cc4)c23)cc1.
What is the InChIKey of 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is PVWYDIXRBUUPQE-OCEACIFDSA-N. The full InChI is InChI=1S/C22H20N4O4S/c23-31(29,30)18-12-8-16(9-13-18)25-26-21-20-15(2-1-3-19(20)24-22(21)28)7-4-14-5-10-17(27)11-6-14/h1-3,5-6,8-13,24,27-28H,4,7H2,(H2,23,29,30)/b26-25+.
What are the key properties of 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 436.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).