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

C18H20N4O3S — CID 135434995

IUPAC4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)11-4-9-14-15(10-11)20-17(23)16(14)22-21-12-5-7-13(8-6-12)26(19,24)25/h4-10,20,23H,1-3H3,(H2,19,24,25)/b22-21+
InChIKeyAFLAGDGRBOWAKV-QURGRASLSA-N
MW372.45 g/mol
LogP4.23
Rot. Bonds3

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

4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434995) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434995
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)11-4-9-14-15(10-11)20-17(23)16(14)22-21-12-5-7-13(8-6-12)26(19,24)25/h4-10,20,23H,1-3H3,(H2,19,24,25)/b22-21+
InChIKeyAFLAGDGRBOWAKV-QURGRASLSA-N
XLogP4.23
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434995) is 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is CC(C)(C)c1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1.
What is the InChIKey of 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is AFLAGDGRBOWAKV-QURGRASLSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-18(2,3)11-4-9-14-15(10-11)20-17(23)16(14)22-21-12-5-7-13(8-6-12)26(19,24)25/h4-10,20,23H,1-3H3,(H2,19,24,25)/b22-21+.
What are the key properties of 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).