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

C18H20N4O3S — CID 135434969

IUPAC4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESCC(C)Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,20,23H,10H2,1-2H3,(H2,19,24,25)/b22-21+
InChIKeyXGUHVATWHCXGMI-QURGRASLSA-N
MW372.45 g/mol
LogP4.13
Rot. Bonds5

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

4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135434969) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135434969
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESCC(C)Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,20,23H,10H2,1-2H3,(H2,19,24,25)/b22-21+
InChIKeyXGUHVATWHCXGMI-QURGRASLSA-N
XLogP4.13
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135434969) is 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is CC(C)Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is XGUHVATWHCXGMI-QURGRASLSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,20,23H,10H2,1-2H3,(H2,19,24,25)/b22-21+.
What are the key properties of 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-(2-methylpropyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).