4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide

C17H14N6O3S — CID 135434976

IUPAC4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(-c4ccn[nH]4)c23)cc1
InChIInChI=1S/C17H14N6O3S/c18-27(25,26)11-6-4-10(5-7-11)21-23-16-15-12(13-8-9-19-22-13)2-1-3-14(15)20-17(16)24/h1-9,20,24H,(H,19,22)(H2,18,25,26)/b23-21+
InChIKeyIFKBZXCALDVHTD-XTQSDGFTSA-N
MW382.41 g/mol
LogP3.33
Rot. Bonds4

About 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide

4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135434976) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135434976
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Name4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(-c4ccn[nH]4)c23)cc1
InChIInChI=1S/C17H14N6O3S/c18-27(25,26)11-6-4-10(5-7-11)21-23-16-15-12(13-8-9-19-22-13)2-1-3-14(15)20-17(16)24/h1-9,20,24H,(H,19,22)(H2,18,25,26)/b23-21+
InChIKeyIFKBZXCALDVHTD-XTQSDGFTSA-N
XLogP3.33
TPSA149.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.33
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-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135434976) is 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(-c4ccn[nH]4)c23)cc1.
What is the InChIKey of 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is IFKBZXCALDVHTD-XTQSDGFTSA-N. The full InChI is InChI=1S/C17H14N6O3S/c18-27(25,26)11-6-4-10(5-7-11)21-23-16-15-12(13-8-9-19-22-13)2-1-3-14(15)20-17(16)24/h1-9,20,24H,(H,19,22)(H2,18,25,26)/b23-21+.
What are the key properties of 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 382.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-(1H-pyrazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).