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

C17H13N5O4S — CID 135418490

IUPAC4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(-c4cnco4)cc23)cc1
InChIInChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,20,23H,(H2,18,24,25)/b22-21+
InChIKeyXWSWBBJOBJLNNN-QURGRASLSA-N
MW383.39 g/mol
LogP3.59
Rot. Bonds4

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

4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135418490) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135418490
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC Name4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(-c4cnco4)cc23)cc1
InChIInChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,20,23H,(H2,18,24,25)/b22-21+
InChIKeyXWSWBBJOBJLNNN-QURGRASLSA-N
XLogP3.59
TPSA146.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135418490) is 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(-c4cnco4)cc23)cc1.
What is the InChIKey of 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is XWSWBBJOBJLNNN-QURGRASLSA-N. The full InChI is InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,20,23H,(H2,18,24,25)/b22-21+.
What are the key properties of 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 383.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-5-(1,3-oxazol-5-yl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135418490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).